1-N,1-N,6-N,6-N,4,4,5,5,6-nonamethylheptane-1,6-diamine

C16H36N2 — CID 140667083

IUPAC1-N,1-N,6-N,6-N,4,4,5,5,6-nonamethylheptane-1,6-diamine
SMILESCN(C)CCCC(C)(C)C(C)(C)C(C)(C)N(C)C
InChIInChI=1S/C16H36N2/c1-14(2,12-11-13-17(7)8)15(3,4)16(5,6)18(9)10/h11-13H2,1-10H3
InChIKeyYZQWVHQGSVVAKJ-UHFFFAOYSA-N
MW256.48 g/mol
LogP3.72
Rot. Bonds7

About 1-N,1-N,6-N,6-N,4,4,5,5,6-nonamethylheptane-1,6-diamine

1-N,1-N,6-N,6-N,4,4,5,5,6-nonamethylheptane-1,6-diamine (PubChem CID 140667083) has the molecular formula C16H36N2 and a molecular weight of 256.48 g/mol. Its IUPAC name is 1-N,1-N,6-N,6-N,4,4,5,5,6-nonamethylheptane-1,6-diamine.

Molecular Properties

Compound Name1-N,1-N,6-N,6-N,4,4,5,5,6-nonamethylheptane-1,6-diamine
PubChem CID140667083
Molecular FormulaC16H36N2
Molecular Weight256.48 g/mol
Exact Mass256.29
IUPAC Name1-N,1-N,6-N,6-N,4,4,5,5,6-nonamethylheptane-1,6-diamine
SMILESCN(C)CCCC(C)(C)C(C)(C)C(C)(C)N(C)C
InChIInChI=1S/C16H36N2/c1-14(2,12-11-13-17(7)8)15(3,4)16(5,6)18(9)10/h11-13H2,1-10H3
InChIKeyYZQWVHQGSVVAKJ-UHFFFAOYSA-N
XLogP3.72
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.48
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-N,1-N,6-N,6-N,4,4,5,5,6-nonamethylheptane-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 1-N,1-N,6-N,6-N,4,4,5,5,6-nonamethylheptane-1,6-diamine?
The IUPAC name of 1-N,1-N,6-N,6-N,4,4,5,5,6-nonamethylheptane-1,6-diamine (CID 140667083) is 1-N,1-N,6-N,6-N,4,4,5,5,6-nonamethylheptane-1,6-diamine.
What is the SMILES notation for 1-N,1-N,6-N,6-N,4,4,5,5,6-nonamethylheptane-1,6-diamine?
The canonical SMILES for 1-N,1-N,6-N,6-N,4,4,5,5,6-nonamethylheptane-1,6-diamine is CN(C)CCCC(C)(C)C(C)(C)C(C)(C)N(C)C.
What is the InChIKey of 1-N,1-N,6-N,6-N,4,4,5,5,6-nonamethylheptane-1,6-diamine?
The InChIKey is YZQWVHQGSVVAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2/c1-14(2,12-11-13-17(7)8)15(3,4)16(5,6)18(9)10/h11-13H2,1-10H3.
What are the key properties of 1-N,1-N,6-N,6-N,4,4,5,5,6-nonamethylheptane-1,6-diamine?
1-N,1-N,6-N,6-N,4,4,5,5,6-nonamethylheptane-1,6-diamine has a molecular weight of 256.48 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,6-N,6-N,4,4,5,5,6-nonamethylheptane-1,6-diamine is sourced from PubChem (CID 140667083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).