2-N-cyclopentyl-3-methylhexane-1,2-diamine

C12H26N2 — CID 65384574

IUPAC2-N-cyclopentyl-3-methylhexane-1,2-diamine
SMILESCCCC(C)C(CN)NC1CCCC1
InChIInChI=1S/C12H26N2/c1-3-6-10(2)12(9-13)14-11-7-4-5-8-11/h10-12,14H,3-9,13H2,1-2H3
InChIKeyNADDFLPMJKRJJM-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.28
Rot. Bonds6

About 2-N-cyclopentyl-3-methylhexane-1,2-diamine

2-N-cyclopentyl-3-methylhexane-1,2-diamine (PubChem CID 65384574) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 2-N-cyclopentyl-3-methylhexane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopentyl-3-methylhexane-1,2-diamine
PubChem CID65384574
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name2-N-cyclopentyl-3-methylhexane-1,2-diamine
SMILESCCCC(C)C(CN)NC1CCCC1
InChIInChI=1S/C12H26N2/c1-3-6-10(2)12(9-13)14-11-7-4-5-8-11/h10-12,14H,3-9,13H2,1-2H3
InChIKeyNADDFLPMJKRJJM-UHFFFAOYSA-N
XLogP2.28
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-N-cyclopentyl-3-methylhexane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-2-N-propan-2-ylhexane-1,2-diamine
CID 62071023
[(2R)-3-methylhexan-2-yl]cyclopentane
CID 163746154
N-pentan-2-ylcyclooctanamine
CID 43079432
1-methyl-N-(4-methylheptan-3-yl)piperidin-4-amine
CID 115707671
3-methyl-2-N-(3-methylcyclopentyl)pentane-1,2-diamine
CID 114544488
(1-cyclopentyl-2-methylpentyl)hydrazine
CID 105282461
N-(2-methyldodecan-3-yl)cyclohexanamine
CID 150788922
2-(cyclooctylamino)-3-methylpentan-1-ol
CID 115891669
1-cycloheptyl-N,3-dimethylhexan-2-amine
CID 107893929
(2-cyclopropyl-4-methylheptan-3-yl)hydrazine
CID 107895883
1-cyclohexyl-N-ethyl-3-methylhexan-2-amine
CID 115842188
1-cyclopentyl-N-ethyl-4-methylheptan-3-amine
CID 107893474

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopentyl-3-methylhexane-1,2-diamine?
The IUPAC name of 2-N-cyclopentyl-3-methylhexane-1,2-diamine (CID 65384574) is 2-N-cyclopentyl-3-methylhexane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopentyl-3-methylhexane-1,2-diamine?
The canonical SMILES for 2-N-cyclopentyl-3-methylhexane-1,2-diamine is CCCC(C)C(CN)NC1CCCC1.
What is the InChIKey of 2-N-cyclopentyl-3-methylhexane-1,2-diamine?
The InChIKey is NADDFLPMJKRJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-3-6-10(2)12(9-13)14-11-7-4-5-8-11/h10-12,14H,3-9,13H2,1-2H3.
What are the key properties of 2-N-cyclopentyl-3-methylhexane-1,2-diamine?
2-N-cyclopentyl-3-methylhexane-1,2-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopentyl-3-methylhexane-1,2-diamine is sourced from PubChem (CID 65384574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).