7,8-dimethylnonane-1,8-diamine

C11H26N2 — CID 23499640

IUPAC7,8-dimethylnonane-1,8-diamine
SMILESCC(CCCCCCN)C(C)(C)N
InChIInChI=1S/C11H26N2/c1-10(11(2,3)13)8-6-4-5-7-9-12/h10H,4-9,12-13H2,1-3H3
InChIKeyCRSBENCETLYMTG-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.27
Rot. Bonds7

About 7,8-dimethylnonane-1,8-diamine

7,8-dimethylnonane-1,8-diamine (PubChem CID 23499640) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is 7,8-dimethylnonane-1,8-diamine.

Molecular Properties

Compound Name7,8-dimethylnonane-1,8-diamine
PubChem CID23499640
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Name7,8-dimethylnonane-1,8-diamine
SMILESCC(CCCCCCN)C(C)(C)N
InChIInChI=1S/C11H26N2/c1-10(11(2,3)13)8-6-4-5-7-9-12/h10H,4-9,12-13H2,1-3H3
InChIKeyCRSBENCETLYMTG-UHFFFAOYSA-N
XLogP2.27
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7,8-dimethylnonane-1,8-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 7,8-dimethylnonane-1,8-diamine?
The IUPAC name of 7,8-dimethylnonane-1,8-diamine (CID 23499640) is 7,8-dimethylnonane-1,8-diamine.
What is the SMILES notation for 7,8-dimethylnonane-1,8-diamine?
The canonical SMILES for 7,8-dimethylnonane-1,8-diamine is CC(CCCCCCN)C(C)(C)N.
What is the InChIKey of 7,8-dimethylnonane-1,8-diamine?
The InChIKey is CRSBENCETLYMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-10(11(2,3)13)8-6-4-5-7-9-12/h10H,4-9,12-13H2,1-3H3.
What are the key properties of 7,8-dimethylnonane-1,8-diamine?
7,8-dimethylnonane-1,8-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethylnonane-1,8-diamine is sourced from PubChem (CID 23499640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).