1-N-heptan-2-ylcyclohexane-1,3-diamine

C13H28N2 — CID 79459220

IUPAC1-N-heptan-2-ylcyclohexane-1,3-diamine
SMILESCCCCCC(C)NC1CCCC(N)C1
InChIInChI=1S/C13H28N2/c1-3-4-5-7-11(2)15-13-9-6-8-12(14)10-13/h11-13,15H,3-10,14H2,1-2H3
InChIKeyCPNJLUSKEVEHGK-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.81
Rot. Bonds6

About 1-N-heptan-2-ylcyclohexane-1,3-diamine

1-N-heptan-2-ylcyclohexane-1,3-diamine (PubChem CID 79459220) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-N-heptan-2-ylcyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-heptan-2-ylcyclohexane-1,3-diamine
PubChem CID79459220
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name1-N-heptan-2-ylcyclohexane-1,3-diamine
SMILESCCCCCC(C)NC1CCCC(N)C1
InChIInChI=1S/C13H28N2/c1-3-4-5-7-11(2)15-13-9-6-8-12(14)10-13/h11-13,15H,3-10,14H2,1-2H3
InChIKeyCPNJLUSKEVEHGK-UHFFFAOYSA-N
XLogP2.81
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N-heptan-2-ylcyclohexane-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

N-heptan-2-ylcycloheptanamine
CID 43082272
N-nonan-2-ylcyclohexanamine
CID 43129679
N-octan-2-ylcyclohexanamine
CID 13244945
3-cyclopropyl-N-hexan-2-ylcyclohexan-1-amine
CID 64625205
2-(3-aminocyclohexyl)-N-heptan-2-ylpropanamide
CID 106592721
1-N-hexan-3-ylcyclohexane-1,3-diamine
CID 79458783
cis-(1R,3S)-3-methoxy-N-nonan-2-ylcyclopentan-1-amine
CID 170129842
[4-(heptan-2-ylamino)cyclohexyl]methanol
CID 103788540
3-(1-aminodecyl)cyclohexan-1-amine
CID 139824543
N-pentan-2-yl-3-propan-2-ylcyclohexan-1-amine
CID 107447751
N-octan-2-yl-3-propan-2-ylcyclobutan-1-amine
CID 103561562
N-heptan-2-yl-1,2-dimethylpiperidin-4-amine
CID 81301499

Frequently Asked Questions

What is the IUPAC name of 1-N-heptan-2-ylcyclohexane-1,3-diamine?
The IUPAC name of 1-N-heptan-2-ylcyclohexane-1,3-diamine (CID 79459220) is 1-N-heptan-2-ylcyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-heptan-2-ylcyclohexane-1,3-diamine?
The canonical SMILES for 1-N-heptan-2-ylcyclohexane-1,3-diamine is CCCCCC(C)NC1CCCC(N)C1.
What is the InChIKey of 1-N-heptan-2-ylcyclohexane-1,3-diamine?
The InChIKey is CPNJLUSKEVEHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-3-4-5-7-11(2)15-13-9-6-8-12(14)10-13/h11-13,15H,3-10,14H2,1-2H3.
What are the key properties of 1-N-heptan-2-ylcyclohexane-1,3-diamine?
1-N-heptan-2-ylcyclohexane-1,3-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-heptan-2-ylcyclohexane-1,3-diamine is sourced from PubChem (CID 79459220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).