3-N,2,3-trimethylhexane-2,3-diamine

C9H22N2 — CID 142608976

IUPAC3-N,2,3-trimethylhexane-2,3-diamine
SMILESCCCC(C)(NC)C(C)(C)N
InChIInChI=1S/C9H22N2/c1-6-7-9(4,11-5)8(2,3)10/h11H,6-7,10H2,1-5H3
InChIKeyQIHHORGQURDCTP-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.50
Rot. Bonds4

About 3-N,2,3-trimethylhexane-2,3-diamine

3-N,2,3-trimethylhexane-2,3-diamine (PubChem CID 142608976) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is 3-N,2,3-trimethylhexane-2,3-diamine.

Molecular Properties

Compound Name3-N,2,3-trimethylhexane-2,3-diamine
PubChem CID142608976
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC Name3-N,2,3-trimethylhexane-2,3-diamine
SMILESCCCC(C)(NC)C(C)(C)N
InChIInChI=1S/C9H22N2/c1-6-7-9(4,11-5)8(2,3)10/h11H,6-7,10H2,1-5H3
InChIKeyQIHHORGQURDCTP-UHFFFAOYSA-N
XLogP1.50
TPSA38.05 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 ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,4-dimethylheptan-4-amine;ethane
CID 143105274
N,3-dimethylhexan-3-amine;hydrochloride
CID 138400484
2-iodopentan-2-amine
CID 144517487
(2R)-2-methyl-2-(methylamino)pentan-1-ol
CID 93471033
3,3,4-trimethylheptan-4-amine
CID 139427507
4-methylheptan-4-ylhydrazine
CID 23030896
2,3-dimethylbutane-2,3-diamine;hexane
CID 88683031
1-iodo-N,3-dimethylhexan-3-amine
CID 139482959
1-N,3-N,3-trimethylhexane-1,3-diamine
CID 123347800
2-[(2-amino-2-methylbutanoyl)amino]-2-methylpentanoic acid
CID 79805177
3-ethyl-2,2-dimethylhexan-3-amine
CID 54104973
hexane-3,3-diamine
CID 18331048

Frequently Asked Questions

What is the IUPAC name of 3-N,2,3-trimethylhexane-2,3-diamine?
The IUPAC name of 3-N,2,3-trimethylhexane-2,3-diamine (CID 142608976) is 3-N,2,3-trimethylhexane-2,3-diamine.
What is the SMILES notation for 3-N,2,3-trimethylhexane-2,3-diamine?
The canonical SMILES for 3-N,2,3-trimethylhexane-2,3-diamine is CCCC(C)(NC)C(C)(C)N.
What is the InChIKey of 3-N,2,3-trimethylhexane-2,3-diamine?
The InChIKey is QIHHORGQURDCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2/c1-6-7-9(4,11-5)8(2,3)10/h11H,6-7,10H2,1-5H3.
What are the key properties of 3-N,2,3-trimethylhexane-2,3-diamine?
3-N,2,3-trimethylhexane-2,3-diamine has a molecular weight of 158.29 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,2,3-trimethylhexane-2,3-diamine is sourced from PubChem (CID 142608976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).