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

C12H24N2 — CID 79461432

IUPAC3-N-(cyclohexylmethyl)cyclopentane-1,3-diamine
SMILESNC1CCC(NCC2CCCCC2)C1
InChIInChI=1S/C12H24N2/c13-11-6-7-12(8-11)14-9-10-4-2-1-3-5-10/h10-12,14H,1-9,13H2
InChIKeyVFNLLWBKEXUOCA-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.04
Rot. Bonds3

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

3-N-(cyclohexylmethyl)cyclopentane-1,3-diamine (PubChem CID 79461432) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 3-N-(cyclohexylmethyl)cyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N-(cyclohexylmethyl)cyclopentane-1,3-diamine
PubChem CID79461432
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name3-N-(cyclohexylmethyl)cyclopentane-1,3-diamine
SMILESNC1CCC(NCC2CCCCC2)C1
InChIInChI=1S/C12H24N2/c13-11-6-7-12(8-11)14-9-10-4-2-1-3-5-10/h10-12,14H,1-9,13H2
InChIKeyVFNLLWBKEXUOCA-UHFFFAOYSA-N
XLogP2.04
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(cyclopentylmethyl)cyclohexane-1,4-diamine;dihydrochloride
CID 86277318
3-N-[(4-ethylcyclohexyl)methyl]cyclopentane-1,3-diamine
CID 79461789
3-N-(oxan-4-ylmethyl)cyclopentane-1,3-diamine
CID 79461695
N-(cyclobutylmethyl)cycloheptanamine
CID 43298514
3-N-(oxolan-3-ylmethyl)cyclopentane-1,3-diamine
CID 79461363
N-(cyclohexylmethyl)cyclohexanamine;ethene
CID 143308482
3-N-[(2-methylcyclopentyl)methyl]cyclopentane-1,3-diamine
CID 107417313
N-(cyclobutylmethyl)cyclobutanamine
CID 57306046
N-(cycloheptylmethyl)thian-4-amine
CID 115685592
N-(3-aminocyclopentyl)-2-cyclopentylacetamide
CID 115272899
4-[(cyclopentylmethylamino)methyl]cyclohexan-1-amine
CID 115213454
3-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentane-1,3-diamine
CID 79462149

Frequently Asked Questions

What is the IUPAC name of 3-N-(cyclohexylmethyl)cyclopentane-1,3-diamine?
The IUPAC name of 3-N-(cyclohexylmethyl)cyclopentane-1,3-diamine (CID 79461432) is 3-N-(cyclohexylmethyl)cyclopentane-1,3-diamine.
What is the SMILES notation for 3-N-(cyclohexylmethyl)cyclopentane-1,3-diamine?
The canonical SMILES for 3-N-(cyclohexylmethyl)cyclopentane-1,3-diamine is NC1CCC(NCC2CCCCC2)C1.
What is the InChIKey of 3-N-(cyclohexylmethyl)cyclopentane-1,3-diamine?
The InChIKey is VFNLLWBKEXUOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c13-11-6-7-12(8-11)14-9-10-4-2-1-3-5-10/h10-12,14H,1-9,13H2.
What are the key properties of 3-N-(cyclohexylmethyl)cyclopentane-1,3-diamine?
3-N-(cyclohexylmethyl)cyclopentane-1,3-diamine has a molecular weight of 196.34 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(cyclohexylmethyl)cyclopentane-1,3-diamine is sourced from PubChem (CID 79461432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).