2,3-dimethylpentane-1,2-diamine

C7H18N2 — CID 130336484

IUPAC2,3-dimethylpentane-1,2-diamine
SMILESCCC(C)C(C)(N)CN
InChIInChI=1S/C7H18N2/c1-4-6(2)7(3,9)5-8/h6H,4-5,8-9H2,1-3H3
InChIKeyCKSRIGBJKHZVJP-UHFFFAOYSA-N
MW130.23 g/mol
LogP0.71
Rot. Bonds3

About 2,3-dimethylpentane-1,2-diamine

2,3-dimethylpentane-1,2-diamine (PubChem CID 130336484) has the molecular formula C7H18N2 and a molecular weight of 130.23 g/mol. Its IUPAC name is 2,3-dimethylpentane-1,2-diamine.

Molecular Properties

Compound Name2,3-dimethylpentane-1,2-diamine
PubChem CID130336484
Molecular FormulaC7H18N2
Molecular Weight130.23 g/mol
Exact Mass130.15
IUPAC Name2,3-dimethylpentane-1,2-diamine
SMILESCCC(C)C(C)(N)CN
InChIInChI=1S/C7H18N2/c1-4-6(2)7(3,9)5-8/h6H,4-5,8-9H2,1-3H3
InChIKeyCKSRIGBJKHZVJP-UHFFFAOYSA-N
XLogP0.71
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-3,4-dimethylhexanamide
CID 165482291
2,3-dimethylpentane-1,3-diamine
CID 141278294
4,5-dimethyl-1-methylsulfonylheptan-4-amine
CID 63192481
4-chloro-4-ethyl-3,3,5-trimethylheptane
CID 88777678
1-amino-2,3,4-trimethylhexan-3-ol
CID 79135211
(3S)-2,2-difluoro-3-methylpentane
CID 129370790
2,3-dimethylpentane-2-thiol
CID 90985123
3-(aminomethyl)-4,5-dimethylheptan-4-ol
CID 79134739
3,4-dimethyl-1-phenoxyhexan-3-amine
CID 115001414
3,3,4,5-tetramethylheptan-4-ol
CID 22899418
1-fluoro-3,3,4-trimethylhexane
CID 123778940
2-methylpentane-1,2,3,5-tetramine
CID 57229672

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylpentane-1,2-diamine?
The IUPAC name of 2,3-dimethylpentane-1,2-diamine (CID 130336484) is 2,3-dimethylpentane-1,2-diamine.
What is the SMILES notation for 2,3-dimethylpentane-1,2-diamine?
The canonical SMILES for 2,3-dimethylpentane-1,2-diamine is CCC(C)C(C)(N)CN.
What is the InChIKey of 2,3-dimethylpentane-1,2-diamine?
The InChIKey is CKSRIGBJKHZVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2/c1-4-6(2)7(3,9)5-8/h6H,4-5,8-9H2,1-3H3.
What are the key properties of 2,3-dimethylpentane-1,2-diamine?
2,3-dimethylpentane-1,2-diamine has a molecular weight of 130.23 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylpentane-1,2-diamine is sourced from PubChem (CID 130336484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).