Chemical ID: 5182323

CCCC(CCN1CCCCC1)(C=O)c2cccc3c2cccc3
Chemical ID:
5182323
Name [?]:
2-(1-naphthyl)-2-[2-(1-piperidyl)ethyl]pentanal
SMILES [?]:
CCCC(CCN1CCCCC1)(C=O)c2cccc3c2cccc3
InChi [?]:
InChI=1/C22H29NO/c1-2-13-22(18-24,14-17-23-15-6-3-7-16-23)21-12-8-10-19-9-4-5-11-20(19)21/h4-5,8-12,18H,2-3,6-7,13-17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,10,23,22,9,11,17,24,18,21,16,3,5,8,12,6,13,19,20,15,4,7,14/E:(6,7)(15,16)/rA:24cCCCCCCNCCCCCCOCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s7s11;s4;d13;s4;s15;d16;s17;d18;d15s19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H29NO
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:10.935
Area:533.266
Solvation:-2.39662
Coulombic:-15.415
Bond Count [?]
All:26
Single:20
Double:6
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:323.472
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.84
LogP (Chemaxon):4.68

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue