1-N,3-N,3-trimethylhexane-1,3-diamine

C9H22N2 — CID 123347800

IUPAC1-N,3-N,3-trimethylhexane-1,3-diamine
SMILESCCCC(C)(CCNC)NC
InChIInChI=1S/C9H22N2/c1-5-6-9(2,11-4)7-8-10-3/h10-11H,5-8H2,1-4H3
InChIKeyKGRVKQMQAWQWLF-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.37
Rot. Bonds6

About 1-N,3-N,3-trimethylhexane-1,3-diamine

1-N,3-N,3-trimethylhexane-1,3-diamine (PubChem CID 123347800) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is 1-N,3-N,3-trimethylhexane-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N,3-trimethylhexane-1,3-diamine
PubChem CID123347800
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC Name1-N,3-N,3-trimethylhexane-1,3-diamine
SMILESCCCC(C)(CCNC)NC
InChIInChI=1S/C9H22N2/c1-5-6-9(2,11-4)7-8-10-3/h10-11H,5-8H2,1-4H3
InChIKeyKGRVKQMQAWQWLF-UHFFFAOYSA-N
XLogP1.37
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-N,3-N,3-trimethylhexane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,4-dimethylheptan-4-amine;ethane
CID 143105274
1-iodo-N,3-dimethylhexan-3-amine
CID 139482959
N,3-dimethylhexan-3-amine;hydrochloride
CID 138400484
(2R)-2-methyl-2-(methylamino)pentan-1-ol
CID 93471033
N,3-dimethyl-3-propan-2-ylhexan-1-amine
CID 130453352
3,3-difluoro-N,5,5-trimethyloctan-1-amine
CID 123315730
ethane;3-ethyl-N,3-dimethylpentan-1-amine
CID 156646079
N,3-dimethyl-3-phosphanylheptan-1-amine
CID 134182050
N,6,6-trimethylnonan-1-amine
CID 118650446
N,3,3-trimethyldecan-1-amine
CID 81022297
N,3,3-trimethylpentadecan-1-amine
CID 81023479
N-methyl-2-(2-methylpentan-2-yloxy)ethanamine
CID 144977046

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N,3-trimethylhexane-1,3-diamine?
The IUPAC name of 1-N,3-N,3-trimethylhexane-1,3-diamine (CID 123347800) is 1-N,3-N,3-trimethylhexane-1,3-diamine.
What is the SMILES notation for 1-N,3-N,3-trimethylhexane-1,3-diamine?
The canonical SMILES for 1-N,3-N,3-trimethylhexane-1,3-diamine is CCCC(C)(CCNC)NC.
What is the InChIKey of 1-N,3-N,3-trimethylhexane-1,3-diamine?
The InChIKey is KGRVKQMQAWQWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2/c1-5-6-9(2,11-4)7-8-10-3/h10-11H,5-8H2,1-4H3.
What are the key properties of 1-N,3-N,3-trimethylhexane-1,3-diamine?
1-N,3-N,3-trimethylhexane-1,3-diamine has a molecular weight of 158.29 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N,3-trimethylhexane-1,3-diamine is sourced from PubChem (CID 123347800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).