Chemical ID: 5021160

CCN(CC)CC(CCCC(C)C)O
Chemical ID:
5021160
Name [?]:
1-diethylamino-6-methyl-heptan-2-ol
SMILES [?]:
CCN(CC)CC(CCCC(C)C)O
InChi [?]:
InChI=1/C12H27NO/c1-5-13(6-2)10-12(14)9-7-8-11(3)4/h11-12,14H,5-10H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,5,12,13,2,4,9,10,8,6,11,7,3,14/E:(1,2)(3,4)(5,6)/rA:14cCCNCCCCCCCCCCO/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s10;s11;s11;s7;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H27NO
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:8.78289
Area:429.841
Solvation:-1.96314
Coulombic:-23.3675
Bond Count [?]
All:13
Single:13
Double:0
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:201.349
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.23
LogP (Chemaxon):2.8

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