3,3,5-trimethylhexane-1,4-diamine

C9H22N2 — CID 116934431

IUPAC3,3,5-trimethylhexane-1,4-diamine
SMILESCC(C)C(N)C(C)(C)CCN
InChIInChI=1S/C9H22N2/c1-7(2)8(11)9(3,4)5-6-10/h7-8H,5-6,10-11H2,1-4H3
InChIKeyJYXYSVZPYPNPBN-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.34
Rot. Bonds4

About 3,3,5-trimethylhexane-1,4-diamine

3,3,5-trimethylhexane-1,4-diamine (PubChem CID 116934431) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is 3,3,5-trimethylhexane-1,4-diamine.

Molecular Properties

Compound Name3,3,5-trimethylhexane-1,4-diamine
PubChem CID116934431
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC Name3,3,5-trimethylhexane-1,4-diamine
SMILESCC(C)C(N)C(C)(C)CCN
InChIInChI=1S/C9H22N2/c1-7(2)8(11)9(3,4)5-6-10/h7-8H,5-6,10-11H2,1-4H3
InChIKeyJYXYSVZPYPNPBN-UHFFFAOYSA-N
XLogP1.34
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethylhexane-1,4-diamine
CID 116934427
ethane;3,3,4-trimethylheptan-1-amine
CID 143679241
2,2,4-trimethyl-1-piperazin-1-ylpentan-3-amine
CID 116946567
(3S)-2,2-difluoro-4-methylpentan-3-amine
CID 84648303
3-methoxy-3-methylpentane-1,4-diamine
CID 87439375
2,2-dimethyl-1-phenylbutane-1,4-diamine
CID 116934434
2,2-dimethylbutane-1,3-diamine
CID 22255870
3-(2-aminopropoxy)-3-methylbutan-1-amine
CID 139317825
3-methyl-3-N-(2,2,3-trimethylbutyl)butane-1,3-diamine
CID 115135061
2,2-dimethyl-1-(oxan-4-yl)butane-1,4-diamine
CID 116934553
3,3-dimethylbutan-1-amine;hydroiodide
CID 173144991
3,3-dimethylbutan-1-amine;hydrobromide
CID 173119170

Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethylhexane-1,4-diamine?
The IUPAC name of 3,3,5-trimethylhexane-1,4-diamine (CID 116934431) is 3,3,5-trimethylhexane-1,4-diamine.
What is the SMILES notation for 3,3,5-trimethylhexane-1,4-diamine?
The canonical SMILES for 3,3,5-trimethylhexane-1,4-diamine is CC(C)C(N)C(C)(C)CCN.
What is the InChIKey of 3,3,5-trimethylhexane-1,4-diamine?
The InChIKey is JYXYSVZPYPNPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2/c1-7(2)8(11)9(3,4)5-6-10/h7-8H,5-6,10-11H2,1-4H3.
What are the key properties of 3,3,5-trimethylhexane-1,4-diamine?
3,3,5-trimethylhexane-1,4-diamine has a molecular weight of 158.29 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethylhexane-1,4-diamine is sourced from PubChem (CID 116934431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).