6-N,2,4,4,6-pentamethylheptane-2,6-diamine

C12H28N2 — CID 146667491

IUPAC6-N,2,4,4,6-pentamethylheptane-2,6-diamine
SMILESCNC(C)(C)CC(C)(C)CC(C)(C)N
InChIInChI=1S/C12H28N2/c1-10(2,8-11(3,4)13)9-12(5,6)14-7/h14H,8-9,13H2,1-7H3
InChIKeyQNZWRTLBSXIFNP-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.53
Rot. Bonds5

About 6-N,2,4,4,6-pentamethylheptane-2,6-diamine

6-N,2,4,4,6-pentamethylheptane-2,6-diamine (PubChem CID 146667491) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is 6-N,2,4,4,6-pentamethylheptane-2,6-diamine.

Molecular Properties

Compound Name6-N,2,4,4,6-pentamethylheptane-2,6-diamine
PubChem CID146667491
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Name6-N,2,4,4,6-pentamethylheptane-2,6-diamine
SMILESCNC(C)(C)CC(C)(C)CC(C)(C)N
InChIInChI=1S/C12H28N2/c1-10(2,8-11(3,4)13)9-12(5,6)14-7/h14H,8-9,13H2,1-7H3
InChIKeyQNZWRTLBSXIFNP-UHFFFAOYSA-N
XLogP2.53
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-N,2,4,4,6-pentamethylheptane-2,6-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 6-N,2,4,4,6-pentamethylheptane-2,6-diamine?
The IUPAC name of 6-N,2,4,4,6-pentamethylheptane-2,6-diamine (CID 146667491) is 6-N,2,4,4,6-pentamethylheptane-2,6-diamine.
What is the SMILES notation for 6-N,2,4,4,6-pentamethylheptane-2,6-diamine?
The canonical SMILES for 6-N,2,4,4,6-pentamethylheptane-2,6-diamine is CNC(C)(C)CC(C)(C)CC(C)(C)N.
What is the InChIKey of 6-N,2,4,4,6-pentamethylheptane-2,6-diamine?
The InChIKey is QNZWRTLBSXIFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-10(2,8-11(3,4)13)9-12(5,6)14-7/h14H,8-9,13H2,1-7H3.
What are the key properties of 6-N,2,4,4,6-pentamethylheptane-2,6-diamine?
6-N,2,4,4,6-pentamethylheptane-2,6-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,2,4,4,6-pentamethylheptane-2,6-diamine is sourced from PubChem (CID 146667491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).