3-N-cyclohexyl-3-N-ethyl-1-N-propylcyclopentane-1,3-diamine

C16H32N2 — CID 79643635

IUPAC3-N-cyclohexyl-3-N-ethyl-1-N-propylcyclopentane-1,3-diamine
SMILESCCCNC1CCC(N(CC)C2CCCCC2)C1
InChIInChI=1S/C16H32N2/c1-3-12-17-14-10-11-16(13-14)18(4-2)15-8-6-5-7-9-15/h14-17H,3-13H2,1-2H3
InChIKeyYVHGQHZYSXVQLS-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.56
Rot. Bonds6

About 3-N-cyclohexyl-3-N-ethyl-1-N-propylcyclopentane-1,3-diamine

3-N-cyclohexyl-3-N-ethyl-1-N-propylcyclopentane-1,3-diamine (PubChem CID 79643635) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 3-N-cyclohexyl-3-N-ethyl-1-N-propylcyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N-cyclohexyl-3-N-ethyl-1-N-propylcyclopentane-1,3-diamine
PubChem CID79643635
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name3-N-cyclohexyl-3-N-ethyl-1-N-propylcyclopentane-1,3-diamine
SMILESCCCNC1CCC(N(CC)C2CCCCC2)C1
InChIInChI=1S/C16H32N2/c1-3-12-17-14-10-11-16(13-14)18(4-2)15-8-6-5-7-9-15/h14-17H,3-13H2,1-2H3
InChIKeyYVHGQHZYSXVQLS-UHFFFAOYSA-N
XLogP3.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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
1-N-cyclohexyl-1-N,3-N-diethylcyclohexane-1,3-diamine
CID 79630666
1-N-cyclopropyl-3-N-propyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,3-diamine
CID 79618501
3-N-cyclopropyl-3-N-methyl-1-N-propylcyclopentane-1,3-diamine
CID 79643528
3-N-methyl-3-N-(2-methylcyclohexyl)-1-N-propylcyclopentane-1,3-diamine
CID 79642486
N-cyclopentyl-N-ethyl-4-methylcyclohexan-1-amine
CID 58662071
azane;N-propylcyclohexanamine
CID 19368218
N-propylcyclohexanamine;hydrochloride
CID 17370003
3-[cyclopentyl(ethyl)amino]cyclopentan-1-ol
CID 79642890
3-N-cyclohexyl-1-N-ethyl-3-N-methylcyclopentane-1,3-diamine
CID 79642460
1-N-ethyl-1-N-(2-methoxyethyl)-3-N-propylcyclohexane-1,3-diamine
CID 79618820
3-N-[3-(diethylamino)propyl]-3-N-ethyl-1-N-propylcyclopentane-1,3-diamine
CID 102992496

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclohexyl-3-N-ethyl-1-N-propylcyclopentane-1,3-diamine?
The IUPAC name of 3-N-cyclohexyl-3-N-ethyl-1-N-propylcyclopentane-1,3-diamine (CID 79643635) is 3-N-cyclohexyl-3-N-ethyl-1-N-propylcyclopentane-1,3-diamine.
What is the SMILES notation for 3-N-cyclohexyl-3-N-ethyl-1-N-propylcyclopentane-1,3-diamine?
The canonical SMILES for 3-N-cyclohexyl-3-N-ethyl-1-N-propylcyclopentane-1,3-diamine is CCCNC1CCC(N(CC)C2CCCCC2)C1.
What is the InChIKey of 3-N-cyclohexyl-3-N-ethyl-1-N-propylcyclopentane-1,3-diamine?
The InChIKey is YVHGQHZYSXVQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-3-12-17-14-10-11-16(13-14)18(4-2)15-8-6-5-7-9-15/h14-17H,3-13H2,1-2H3.
What are the key properties of 3-N-cyclohexyl-3-N-ethyl-1-N-propylcyclopentane-1,3-diamine?
3-N-cyclohexyl-3-N-ethyl-1-N-propylcyclopentane-1,3-diamine has a molecular weight of 252.45 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclohexyl-3-N-ethyl-1-N-propylcyclopentane-1,3-diamine is sourced from PubChem (CID 79643635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).