1-N-hexan-3-ylcyclohexane-1,3-diamine

C12H26N2 — CID 79458783

IUPAC1-N-hexan-3-ylcyclohexane-1,3-diamine
SMILESCCCC(CC)NC1CCCC(N)C1
InChIInChI=1S/C12H26N2/c1-3-6-11(4-2)14-12-8-5-7-10(13)9-12/h10-12,14H,3-9,13H2,1-2H3
InChIKeyVLBUCKPAQRBTMY-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.42
Rot. Bonds5

About 1-N-hexan-3-ylcyclohexane-1,3-diamine

1-N-hexan-3-ylcyclohexane-1,3-diamine (PubChem CID 79458783) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-N-hexan-3-ylcyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-hexan-3-ylcyclohexane-1,3-diamine
PubChem CID79458783
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-N-hexan-3-ylcyclohexane-1,3-diamine
SMILESCCCC(CC)NC1CCCC(N)C1
InChIInChI=1S/C12H26N2/c1-3-6-11(4-2)14-12-8-5-7-10(13)9-12/h10-12,14H,3-9,13H2,1-2H3
InChIKeyVLBUCKPAQRBTMY-UHFFFAOYSA-N
XLogP2.42
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-N-hexan-3-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

Frequently Asked Questions

What is the IUPAC name of 1-N-hexan-3-ylcyclohexane-1,3-diamine?
The IUPAC name of 1-N-hexan-3-ylcyclohexane-1,3-diamine (CID 79458783) is 1-N-hexan-3-ylcyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-hexan-3-ylcyclohexane-1,3-diamine?
The canonical SMILES for 1-N-hexan-3-ylcyclohexane-1,3-diamine is CCCC(CC)NC1CCCC(N)C1.
What is the InChIKey of 1-N-hexan-3-ylcyclohexane-1,3-diamine?
The InChIKey is VLBUCKPAQRBTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-3-6-11(4-2)14-12-8-5-7-10(13)9-12/h10-12,14H,3-9,13H2,1-2H3.
What are the key properties of 1-N-hexan-3-ylcyclohexane-1,3-diamine?
1-N-hexan-3-ylcyclohexane-1,3-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-hexan-3-ylcyclohexane-1,3-diamine is sourced from PubChem (CID 79458783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).