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

C14H28N2 — CID 79643663

IUPAC3-N-(cyclohexylmethyl)-1-N,3-N-dimethylcyclopentane-1,3-diamine
SMILESCNC1CCC(N(C)CC2CCCCC2)C1
InChIInChI=1S/C14H28N2/c1-15-13-8-9-14(10-13)16(2)11-12-6-4-3-5-7-12/h12-15H,3-11H2,1-2H3
InChIKeyKKHSUNMFNQUOLM-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.64
Rot. Bonds4

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

3-N-(cyclohexylmethyl)-1-N,3-N-dimethylcyclopentane-1,3-diamine (PubChem CID 79643663) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 3-N-(cyclohexylmethyl)-1-N,3-N-dimethylcyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N-(cyclohexylmethyl)-1-N,3-N-dimethylcyclopentane-1,3-diamine
PubChem CID79643663
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name3-N-(cyclohexylmethyl)-1-N,3-N-dimethylcyclopentane-1,3-diamine
SMILESCNC1CCC(N(C)CC2CCCCC2)C1
InChIInChI=1S/C14H28N2/c1-15-13-8-9-14(10-13)16(2)11-12-6-4-3-5-7-12/h12-15H,3-11H2,1-2H3
InChIKeyKKHSUNMFNQUOLM-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(cyclohexylmethyl)-1-N,3-N-dimethylcyclohexane-1,3-diamine
CID 79618494
4-N-(cyclopentylmethyl)-1-N-ethyl-4-N-methylcyclohexane-1,4-diamine
CID 79123042
N-(cyclohexylmethyl)-N-methylcyclohexanamine;ethane
CID 143467626
1-N,4-N-dimethyl-4-N-[(3-methylcyclobutyl)methyl]cyclohexane-1,4-diamine
CID 143682980
4-N-(cyclopentylmethyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 79123260
N-(cyclopropylmethyl)-N-methylcyclopropanamine
CID 67976432
N,1-dimethyl-N-[[4-(methylamino)cyclohexyl]methyl]piperidin-3-amine
CID 115213642
1-N-(cyclopropylmethyl)-1-N-methyl-3-N-propylcyclohexane-1,3-diamine
CID 79631247
1-N-(cyclobutylmethyl)-1-N,2-N-dimethylcycloheptane-1,2-diamine
CID 62862349
N-(cyclopropylmethyl)-N,3-dimethylcyclopentan-1-amine
CID 130920507
3-[cyclohexylmethyl(methyl)amino]cyclobutane-1-carboxylic acid
CID 117042998
4-[[2-cyclohexylethyl(methyl)amino]methyl]-N-methylcyclohexan-1-amine
CID 115213754

Frequently Asked Questions

What is the IUPAC name of 3-N-(cyclohexylmethyl)-1-N,3-N-dimethylcyclopentane-1,3-diamine?
The IUPAC name of 3-N-(cyclohexylmethyl)-1-N,3-N-dimethylcyclopentane-1,3-diamine (CID 79643663) is 3-N-(cyclohexylmethyl)-1-N,3-N-dimethylcyclopentane-1,3-diamine.
What is the SMILES notation for 3-N-(cyclohexylmethyl)-1-N,3-N-dimethylcyclopentane-1,3-diamine?
The canonical SMILES for 3-N-(cyclohexylmethyl)-1-N,3-N-dimethylcyclopentane-1,3-diamine is CNC1CCC(N(C)CC2CCCCC2)C1.
What is the InChIKey of 3-N-(cyclohexylmethyl)-1-N,3-N-dimethylcyclopentane-1,3-diamine?
The InChIKey is KKHSUNMFNQUOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-15-13-8-9-14(10-13)16(2)11-12-6-4-3-5-7-12/h12-15H,3-11H2,1-2H3.
What are the key properties of 3-N-(cyclohexylmethyl)-1-N,3-N-dimethylcyclopentane-1,3-diamine?
3-N-(cyclohexylmethyl)-1-N,3-N-dimethylcyclopentane-1,3-diamine has a molecular weight of 224.39 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(cyclohexylmethyl)-1-N,3-N-dimethylcyclopentane-1,3-diamine is sourced from PubChem (CID 79643663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).