2-N-(3-methylcyclopentyl)heptane-1,2-diamine

C13H28N2 — CID 114544598

IUPAC2-N-(3-methylcyclopentyl)heptane-1,2-diamine
SMILESCCCCCC(CN)NC1CCC(C)C1
InChIInChI=1S/C13H28N2/c1-3-4-5-6-13(10-14)15-12-8-7-11(2)9-12/h11-13,15H,3-10,14H2,1-2H3
InChIKeyDFOAQTWBHOTSKG-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.67
Rot. Bonds7

About 2-N-(3-methylcyclopentyl)heptane-1,2-diamine

2-N-(3-methylcyclopentyl)heptane-1,2-diamine (PubChem CID 114544598) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 2-N-(3-methylcyclopentyl)heptane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-methylcyclopentyl)heptane-1,2-diamine
PubChem CID114544598
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name2-N-(3-methylcyclopentyl)heptane-1,2-diamine
SMILESCCCCCC(CN)NC1CCC(C)C1
InChIInChI=1S/C13H28N2/c1-3-4-5-6-13(10-14)15-12-8-7-11(2)9-12/h11-13,15H,3-10,14H2,1-2H3
InChIKeyDFOAQTWBHOTSKG-UHFFFAOYSA-N
XLogP2.67
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-N-(3-methylcyclopentyl)heptane-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

2-N-(3-methylcyclopentyl)pentane-1,2-diamine
CID 114544517
2-N-cyclopropyloctane-1,2-diamine
CID 62069624
N-heptan-3-yl-3,5-dimethylcyclohexan-1-amine
CID 64734397
3-methyl-2-N-(3-methylcyclopentyl)pentane-1,2-diamine
CID 114544488
1-N-(3-methylcyclopentyl)hexane-1,2-diamine
CID 114547296
3-methyl-N-octylcyclopentan-1-amine
CID 115566670
N-decan-4-ylcyclohexanamine
CID 175237913
trans-(1S,3S)-3-methyl-N-propan-2-ylcyclopentan-1-amine
CID 58394445
(1R)-3-methyl-N-propan-2-ylcyclopentan-1-amine
CID 58394376
1-(3-methylcyclohexyl)hexan-1-amine
CID 55210427
N'-(3-methylcyclopentyl)-2-propan-2-ylpropane-1,3-diamine
CID 114547307
N-(2-ethylhexyl)-3-methylcyclopentan-1-amine
CID 64500388

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-methylcyclopentyl)heptane-1,2-diamine?
The IUPAC name of 2-N-(3-methylcyclopentyl)heptane-1,2-diamine (CID 114544598) is 2-N-(3-methylcyclopentyl)heptane-1,2-diamine.
What is the SMILES notation for 2-N-(3-methylcyclopentyl)heptane-1,2-diamine?
The canonical SMILES for 2-N-(3-methylcyclopentyl)heptane-1,2-diamine is CCCCCC(CN)NC1CCC(C)C1.
What is the InChIKey of 2-N-(3-methylcyclopentyl)heptane-1,2-diamine?
The InChIKey is DFOAQTWBHOTSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-3-4-5-6-13(10-14)15-12-8-7-11(2)9-12/h11-13,15H,3-10,14H2,1-2H3.
What are the key properties of 2-N-(3-methylcyclopentyl)heptane-1,2-diamine?
2-N-(3-methylcyclopentyl)heptane-1,2-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methylcyclopentyl)heptane-1,2-diamine is sourced from PubChem (CID 114544598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).