1-N-cyclohexyl-1-N,3-N-diethylcyclohexane-1,3-diamine

C16H32N2 — CID 79630666

IUPAC1-N-cyclohexyl-1-N,3-N-diethylcyclohexane-1,3-diamine
SMILESCCNC1CCCC(N(CC)C2CCCCC2)C1
InChIInChI=1S/C16H32N2/c1-3-17-14-9-8-12-16(13-14)18(4-2)15-10-6-5-7-11-15/h14-17H,3-13H2,1-2H3
InChIKeyUWECJMSDKKAURG-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.56
Rot. Bonds5

About 1-N-cyclohexyl-1-N,3-N-diethylcyclohexane-1,3-diamine

1-N-cyclohexyl-1-N,3-N-diethylcyclohexane-1,3-diamine (PubChem CID 79630666) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 1-N-cyclohexyl-1-N,3-N-diethylcyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-cyclohexyl-1-N,3-N-diethylcyclohexane-1,3-diamine
PubChem CID79630666
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name1-N-cyclohexyl-1-N,3-N-diethylcyclohexane-1,3-diamine
SMILESCCNC1CCCC(N(CC)C2CCCCC2)C1
InChIInChI=1S/C16H32N2/c1-3-17-14-9-8-12-16(13-14)18(4-2)15-10-6-5-7-11-15/h14-17H,3-13H2,1-2H3
InChIKeyUWECJMSDKKAURG-UHFFFAOYSA-N
XLogP3.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-cyclohexyl-1-N-ethyl-3-N-propylcyclohexane-1,3-diamine
CID 79630573
3-N-cyclohexyl-3-N-ethyl-1-N-propylcyclopentane-1,3-diamine
CID 79643635
3-N-cyclohexyl-1-N-ethyl-3-N-methylcyclopentane-1,3-diamine
CID 79642460
N-ethylcyclodecanamine
CID 148546213
N-ethylcyclooctanamine
CID 13112621
3-N-cyclopentyl-1-N-ethyl-3-N-methylcyclopentane-1,3-diamine
CID 79644118
1-N,3-N-diethyl-1-N-(2-methoxyethyl)cyclohexane-1,3-diamine
CID 79618929
ethane;N-ethylcyclohexanamine
CID 144865505
1-N,3-N-diethyl-1-N-(1-methoxypropan-2-yl)cyclohexane-1,3-diamine
CID 79618055
3-[cyclopentyl(ethyl)amino]cyclopentan-1-ol
CID 79642890
3-N-cyclopropyl-1-N-ethyl-3-N-(2-methoxyethyl)cyclopentane-1,3-diamine
CID 79643074
N-ethylcyclohexanamine;hydroxylamine
CID 142330095

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclohexyl-1-N,3-N-diethylcyclohexane-1,3-diamine?
The IUPAC name of 1-N-cyclohexyl-1-N,3-N-diethylcyclohexane-1,3-diamine (CID 79630666) is 1-N-cyclohexyl-1-N,3-N-diethylcyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-cyclohexyl-1-N,3-N-diethylcyclohexane-1,3-diamine?
The canonical SMILES for 1-N-cyclohexyl-1-N,3-N-diethylcyclohexane-1,3-diamine is CCNC1CCCC(N(CC)C2CCCCC2)C1.
What is the InChIKey of 1-N-cyclohexyl-1-N,3-N-diethylcyclohexane-1,3-diamine?
The InChIKey is UWECJMSDKKAURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-3-17-14-9-8-12-16(13-14)18(4-2)15-10-6-5-7-11-15/h14-17H,3-13H2,1-2H3.
What are the key properties of 1-N-cyclohexyl-1-N,3-N-diethylcyclohexane-1,3-diamine?
1-N-cyclohexyl-1-N,3-N-diethylcyclohexane-1,3-diamine has a molecular weight of 252.45 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclohexyl-1-N,3-N-diethylcyclohexane-1,3-diamine is sourced from PubChem (CID 79630666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).