3-N-(1-cyclohexylethyl)cyclopentane-1,3-diamine

C13H26N2 — CID 79461481

IUPAC3-N-(1-cyclohexylethyl)cyclopentane-1,3-diamine
SMILESCC(NC1CCC(N)C1)C1CCCCC1
InChIInChI=1S/C13H26N2/c1-10(11-5-3-2-4-6-11)15-13-8-7-12(14)9-13/h10-13,15H,2-9,14H2,1H3
InChIKeyIHVVXJGXBSYDEL-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.42
Rot. Bonds3

About 3-N-(1-cyclohexylethyl)cyclopentane-1,3-diamine

3-N-(1-cyclohexylethyl)cyclopentane-1,3-diamine (PubChem CID 79461481) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 3-N-(1-cyclohexylethyl)cyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N-(1-cyclohexylethyl)cyclopentane-1,3-diamine
PubChem CID79461481
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name3-N-(1-cyclohexylethyl)cyclopentane-1,3-diamine
SMILESCC(NC1CCC(N)C1)C1CCCCC1
InChIInChI=1S/C13H26N2/c1-10(11-5-3-2-4-6-11)15-13-8-7-12(14)9-13/h10-13,15H,2-9,14H2,1H3
InChIKeyIHVVXJGXBSYDEL-UHFFFAOYSA-N
XLogP2.42
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[(1S)-1-cycloheptylethyl]cyclohexane-1,3-diamine
CID 81390120
4-N-[(1R)-1-cyclohexylethyl]cyclohexane-1,4-diamine
CID 81385078
1-N-(1-cyclopropylethyl)cyclohexane-1,3-diamine
CID 79458363
1-N-(1-cyclopropylethyl)cyclobutane-1,3-diamine
CID 80559737
N-[(1R)-1-cyclopentylethyl]-3-ethylcyclopentan-1-amine
CID 81395536
N-[(1S)-1-cyclohexylethyl]-3-methylcyclopentan-1-amine
CID 81387418
N-[(1S)-1-cycloheptylethyl]cycloheptanamine
CID 81389840
N-(1-cyclohexylethyl)-4-propan-2-ylcyclohexan-1-amine
CID 63478862
N-[(1R)-1-cycloheptylethyl]-4-propan-2-ylcyclohexan-1-amine
CID 81393268
N-(1-cyclopropylethyl)cyclohexanamine
CID 43177177
N-[(1R)-1-cyclopentylethyl]-3,4-dimethylcyclohexan-1-amine
CID 81395850
N-(1-cyclohexylethyl)-3-methylcyclobutan-1-amine
CID 115677489

Frequently Asked Questions

What is the IUPAC name of 3-N-(1-cyclohexylethyl)cyclopentane-1,3-diamine?
The IUPAC name of 3-N-(1-cyclohexylethyl)cyclopentane-1,3-diamine (CID 79461481) is 3-N-(1-cyclohexylethyl)cyclopentane-1,3-diamine.
What is the SMILES notation for 3-N-(1-cyclohexylethyl)cyclopentane-1,3-diamine?
The canonical SMILES for 3-N-(1-cyclohexylethyl)cyclopentane-1,3-diamine is CC(NC1CCC(N)C1)C1CCCCC1.
What is the InChIKey of 3-N-(1-cyclohexylethyl)cyclopentane-1,3-diamine?
The InChIKey is IHVVXJGXBSYDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-10(11-5-3-2-4-6-11)15-13-8-7-12(14)9-13/h10-13,15H,2-9,14H2,1H3.
What are the key properties of 3-N-(1-cyclohexylethyl)cyclopentane-1,3-diamine?
3-N-(1-cyclohexylethyl)cyclopentane-1,3-diamine has a molecular weight of 210.36 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1-cyclohexylethyl)cyclopentane-1,3-diamine is sourced from PubChem (CID 79461481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).