2,5-dimethyl-2-N-(3-methylcyclopentyl)hexane-1,2-diamine

C14H30N2 — CID 114544763

IUPAC2,5-dimethyl-2-N-(3-methylcyclopentyl)hexane-1,2-diamine
SMILESCC(C)CCC(C)(CN)NC1CCC(C)C1
InChIInChI=1S/C14H30N2/c1-11(2)7-8-14(4,10-15)16-13-6-5-12(3)9-13/h11-13,16H,5-10,15H2,1-4H3
InChIKeyWYNMFWGBXCBXSV-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.92
Rot. Bonds6

About 2,5-dimethyl-2-N-(3-methylcyclopentyl)hexane-1,2-diamine

2,5-dimethyl-2-N-(3-methylcyclopentyl)hexane-1,2-diamine (PubChem CID 114544763) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 2,5-dimethyl-2-N-(3-methylcyclopentyl)hexane-1,2-diamine.

Molecular Properties

Compound Name2,5-dimethyl-2-N-(3-methylcyclopentyl)hexane-1,2-diamine
PubChem CID114544763
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name2,5-dimethyl-2-N-(3-methylcyclopentyl)hexane-1,2-diamine
SMILESCC(C)CCC(C)(CN)NC1CCC(C)C1
InChIInChI=1S/C14H30N2/c1-11(2)7-8-14(4,10-15)16-13-6-5-12(3)9-13/h11-13,16H,5-10,15H2,1-4H3
InChIKeyWYNMFWGBXCBXSV-UHFFFAOYSA-N
XLogP2.92
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,5-dimethyl-2-N-(3-methylcyclopentyl)hexane-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

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-2-N-(3-methylcyclopentyl)hexane-1,2-diamine?
The IUPAC name of 2,5-dimethyl-2-N-(3-methylcyclopentyl)hexane-1,2-diamine (CID 114544763) is 2,5-dimethyl-2-N-(3-methylcyclopentyl)hexane-1,2-diamine.
What is the SMILES notation for 2,5-dimethyl-2-N-(3-methylcyclopentyl)hexane-1,2-diamine?
The canonical SMILES for 2,5-dimethyl-2-N-(3-methylcyclopentyl)hexane-1,2-diamine is CC(C)CCC(C)(CN)NC1CCC(C)C1.
What is the InChIKey of 2,5-dimethyl-2-N-(3-methylcyclopentyl)hexane-1,2-diamine?
The InChIKey is WYNMFWGBXCBXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-11(2)7-8-14(4,10-15)16-13-6-5-12(3)9-13/h11-13,16H,5-10,15H2,1-4H3.
What are the key properties of 2,5-dimethyl-2-N-(3-methylcyclopentyl)hexane-1,2-diamine?
2,5-dimethyl-2-N-(3-methylcyclopentyl)hexane-1,2-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-2-N-(3-methylcyclopentyl)hexane-1,2-diamine is sourced from PubChem (CID 114544763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).