1-N-(3-methylcyclopentyl)hexane-1,3-diamine

C12H26N2 — CID 114547292

IUPAC1-N-(3-methylcyclopentyl)hexane-1,3-diamine
SMILESCCCC(N)CCNC1CCC(C)C1
InChIInChI=1S/C12H26N2/c1-3-4-11(13)7-8-14-12-6-5-10(2)9-12/h10-12,14H,3-9,13H2,1-2H3
InChIKeyKOTVXORBQRNAAI-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.28
Rot. Bonds6

About 1-N-(3-methylcyclopentyl)hexane-1,3-diamine

1-N-(3-methylcyclopentyl)hexane-1,3-diamine (PubChem CID 114547292) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-N-(3-methylcyclopentyl)hexane-1,3-diamine.

Molecular Properties

Compound Name1-N-(3-methylcyclopentyl)hexane-1,3-diamine
PubChem CID114547292
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-N-(3-methylcyclopentyl)hexane-1,3-diamine
SMILESCCCC(N)CCNC1CCC(C)C1
InChIInChI=1S/C12H26N2/c1-3-4-11(13)7-8-14-12-6-5-10(2)9-12/h10-12,14H,3-9,13H2,1-2H3
InChIKeyKOTVXORBQRNAAI-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 1-N-(3-methylcyclopentyl)hexane-1,3-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

(2R)-4-[[(1S,3S)-3-methylcyclopentyl]amino]butan-2-ol
CID 96784285
(2S)-4-[[(1S,3R)-3-methylcyclopentyl]amino]butan-2-ol
CID 124674906
1-N-(3-methylcyclopentyl)hexane-1,2-diamine
CID 114547296
N'-(3-methylcyclopentyl)-1-phenylpropane-1,3-diamine
CID 114547321
3-methyl-N-octylcyclopentan-1-amine
CID 115566670
1-N-(3-methylcyclopentyl)propane-1,2-diamine
CID 114547299
(1S)-N-(3,3-diphenylpropyl)-3-methylcyclopentan-1-amine
CID 71032236
cis-(1R,3S)-3-methyl-N-propylcyclohexan-1-amine
CID 15350394
cis-(1R,3S)-N-(2-methoxyethyl)-3-methylcyclopentan-1-amine
CID 95368704
2-N-(3-methylcyclopentyl)pentane-1,2-diamine
CID 114544517
N-[3-(3-methylcyclohexyl)oxybutyl]cyclopropanamine
CID 115002291
3-methyl-N-(2-propan-2-ylsulfonylethyl)cyclopentan-1-amine
CID 106724576

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-methylcyclopentyl)hexane-1,3-diamine?
The IUPAC name of 1-N-(3-methylcyclopentyl)hexane-1,3-diamine (CID 114547292) is 1-N-(3-methylcyclopentyl)hexane-1,3-diamine.
What is the SMILES notation for 1-N-(3-methylcyclopentyl)hexane-1,3-diamine?
The canonical SMILES for 1-N-(3-methylcyclopentyl)hexane-1,3-diamine is CCCC(N)CCNC1CCC(C)C1.
What is the InChIKey of 1-N-(3-methylcyclopentyl)hexane-1,3-diamine?
The InChIKey is KOTVXORBQRNAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-3-4-11(13)7-8-14-12-6-5-10(2)9-12/h10-12,14H,3-9,13H2,1-2H3.
What are the key properties of 1-N-(3-methylcyclopentyl)hexane-1,3-diamine?
1-N-(3-methylcyclopentyl)hexane-1,3-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 1-N-(3-methylcyclopentyl)hexane-1,3-diamine is sourced from PubChem (CID 114547292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).