3-N,3-N,4-N,4-N,3,4-hexamethylhexane-3,4-diamine

C12H28N2 — CID 23468038

IUPAC3-N,3-N,4-N,4-N,3,4-hexamethylhexane-3,4-diamine
SMILESCCC(C)(N(C)C)C(C)(CC)N(C)C
InChIInChI=1S/C12H28N2/c1-9-11(3,13(5)6)12(4,10-2)14(7)8/h9-10H2,1-8H3
InChIKeySKZWUTBSVDHKPY-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.45
Rot. Bonds5

About 3-N,3-N,4-N,4-N,3,4-hexamethylhexane-3,4-diamine

3-N,3-N,4-N,4-N,3,4-hexamethylhexane-3,4-diamine (PubChem CID 23468038) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is 3-N,3-N,4-N,4-N,3,4-hexamethylhexane-3,4-diamine.

Molecular Properties

Compound Name3-N,3-N,4-N,4-N,3,4-hexamethylhexane-3,4-diamine
PubChem CID23468038
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Name3-N,3-N,4-N,4-N,3,4-hexamethylhexane-3,4-diamine
SMILESCCC(C)(N(C)C)C(C)(CC)N(C)C
InChIInChI=1S/C12H28N2/c1-9-11(3,13(5)6)12(4,10-2)14(7)8/h9-10H2,1-8H3
InChIKeySKZWUTBSVDHKPY-UHFFFAOYSA-N
XLogP2.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-N,3-N,4-N,4-N,3,4-hexamethylhexane-3,4-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 3-N,3-N,4-N,4-N,3,4-hexamethylhexane-3,4-diamine?
The IUPAC name of 3-N,3-N,4-N,4-N,3,4-hexamethylhexane-3,4-diamine (CID 23468038) is 3-N,3-N,4-N,4-N,3,4-hexamethylhexane-3,4-diamine.
What is the SMILES notation for 3-N,3-N,4-N,4-N,3,4-hexamethylhexane-3,4-diamine?
The canonical SMILES for 3-N,3-N,4-N,4-N,3,4-hexamethylhexane-3,4-diamine is CCC(C)(N(C)C)C(C)(CC)N(C)C.
What is the InChIKey of 3-N,3-N,4-N,4-N,3,4-hexamethylhexane-3,4-diamine?
The InChIKey is SKZWUTBSVDHKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-9-11(3,13(5)6)12(4,10-2)14(7)8/h9-10H2,1-8H3.
What are the key properties of 3-N,3-N,4-N,4-N,3,4-hexamethylhexane-3,4-diamine?
3-N,3-N,4-N,4-N,3,4-hexamethylhexane-3,4-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,4-N,4-N,3,4-hexamethylhexane-3,4-diamine is sourced from PubChem (CID 23468038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).