Chemical ID: 3959526

CCN(CC)CCCNCC(=O)N1CCCC1
Chemical ID:
3959526
Name [?]:
2-(3-diethylaminopropylamino)-1-pyrrolidin-1-yl-ethanone
SMILES [?]:
CCN(CC)CCCNCC(=O)N1CCCC1
InChi [?]:
InChI=1/C13H27N3O/c1-3-15(4-2)9-7-8-14-12-13(17)16-10-5-6-11-16/h14H,3-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,15,16,7,8,6,14,17,10,11,9,3,13,12/E:(1,2)(3,4)(5,6)(10,11)/rA:17nCCNCCCCCNCCONCCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s10;d11;s11;s13;s14;s15;s13s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H27N3O
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:9.01142
Area:481.679
Solvation:-3.03054
Coulombic:-29.0911
Bond Count [?]
All:17
Single:16
Double:1
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:241.373
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:0.7
LogP (Chemaxon):0.01

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