5,6-dimethylheptane-1,6-diamine

C9H22N2 — CID 3033875

IUPAC5,6-dimethylheptane-1,6-diamine
SMILESCC(CCCCN)C(C)(C)N
InChIInChI=1S/C9H22N2/c1-8(9(2,3)11)6-4-5-7-10/h8H,4-7,10-11H2,1-3H3
InChIKeyHUXPKQXHDPXCMM-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.49
Rot. Bonds5

About 5,6-dimethylheptane-1,6-diamine

5,6-dimethylheptane-1,6-diamine (PubChem CID 3033875) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is 5,6-dimethylheptane-1,6-diamine.

Molecular Properties

Compound Name5,6-dimethylheptane-1,6-diamine
PubChem CID3033875
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC Name5,6-dimethylheptane-1,6-diamine
SMILESCC(CCCCN)C(C)(C)N
InChIInChI=1S/C9H22N2/c1-8(9(2,3)11)6-4-5-7-10/h8H,4-7,10-11H2,1-3H3
InChIKeyHUXPKQXHDPXCMM-UHFFFAOYSA-N
XLogP1.49
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5,6-dimethylheptane-1,6-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 5,6-dimethylheptane-1,6-diamine?
The IUPAC name of 5,6-dimethylheptane-1,6-diamine (CID 3033875) is 5,6-dimethylheptane-1,6-diamine.
What is the SMILES notation for 5,6-dimethylheptane-1,6-diamine?
The canonical SMILES for 5,6-dimethylheptane-1,6-diamine is CC(CCCCN)C(C)(C)N.
What is the InChIKey of 5,6-dimethylheptane-1,6-diamine?
The InChIKey is HUXPKQXHDPXCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2/c1-8(9(2,3)11)6-4-5-7-10/h8H,4-7,10-11H2,1-3H3.
What are the key properties of 5,6-dimethylheptane-1,6-diamine?
5,6-dimethylheptane-1,6-diamine has a molecular weight of 158.29 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethylheptane-1,6-diamine is sourced from PubChem (CID 3033875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).