1-(4-ethylcyclohexyl)undecan-1-amine

C19H39N — CID 65394557

IUPAC1-(4-ethylcyclohexyl)undecan-1-amine
SMILESCCCCCCCCCCC(N)C1CCC(CC)CC1
InChIInChI=1S/C19H39N/c1-3-5-6-7-8-9-10-11-12-19(20)18-15-13-17(4-2)14-16-18/h17-19H,3-16,20H2,1-2H3
InChIKeyHEMUKEGLGWQLNO-UHFFFAOYSA-N
MW281.53 g/mol
LogP6.06
Rot. Bonds11

About 1-(4-ethylcyclohexyl)undecan-1-amine

1-(4-ethylcyclohexyl)undecan-1-amine (PubChem CID 65394557) has the molecular formula C19H39N and a molecular weight of 281.53 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)undecan-1-amine.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)undecan-1-amine
PubChem CID65394557
Molecular FormulaC19H39N
Molecular Weight281.53 g/mol
Exact Mass281.31
IUPAC Name1-(4-ethylcyclohexyl)undecan-1-amine
SMILESCCCCCCCCCCC(N)C1CCC(CC)CC1
InChIInChI=1S/C19H39N/c1-3-5-6-7-8-9-10-11-12-19(20)18-15-13-17(4-2)14-16-18/h17-19H,3-16,20H2,1-2H3
InChIKeyHEMUKEGLGWQLNO-UHFFFAOYSA-N
XLogP6.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.53
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-cyclobutylnonan-1-amine
CID 64986616
1-cycloheptylheptan-1-amine
CID 65399314
1-(oxan-4-yl)heptan-1-amine
CID 65334749
1-(4,4-dimethylcyclohexyl)octan-1-amine
CID 65391803
1-(oxan-4-yl)tridecan-1-amine
CID 65334434
1-(4-ethylcyclohexyl)nonylhydrazine
CID 105231419
1-(thiolan-3-yl)octan-1-amine
CID 105124991
1-(thiolan-3-yl)heptan-1-amine
CID 105126325
1-[4-[(1S)-1-aminoethyl]cyclohexyl]pentan-1-amine
CID 144564960
(1R)-1-cyclopentylpentan-1-amine
CID 55292231
3-(1-aminodecyl)cyclohexan-1-amine
CID 139824543
1-ethyl-4-[2-(4-heptylcyclohexyl)ethyl]cyclohexane
CID 14227509

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)undecan-1-amine?
The IUPAC name of 1-(4-ethylcyclohexyl)undecan-1-amine (CID 65394557) is 1-(4-ethylcyclohexyl)undecan-1-amine.
What is the SMILES notation for 1-(4-ethylcyclohexyl)undecan-1-amine?
The canonical SMILES for 1-(4-ethylcyclohexyl)undecan-1-amine is CCCCCCCCCCC(N)C1CCC(CC)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)undecan-1-amine?
The InChIKey is HEMUKEGLGWQLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N/c1-3-5-6-7-8-9-10-11-12-19(20)18-15-13-17(4-2)14-16-18/h17-19H,3-16,20H2,1-2H3.
What are the key properties of 1-(4-ethylcyclohexyl)undecan-1-amine?
1-(4-ethylcyclohexyl)undecan-1-amine has a molecular weight of 281.53 g/mol, XLogP of 6.06, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)undecan-1-amine is sourced from PubChem (CID 65394557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).