2,3-dimethylpentane-1,3-diamine

C7H18N2 — CID 141278294

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

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

2,3-dimethylpentane-1,3-diamine (PubChem CID 141278294) has the molecular formula C7H18N2 and a molecular weight of 130.23 g/mol. Its IUPAC name is 2,3-dimethylpentane-1,3-diamine.

Molecular Properties

Compound Name2,3-dimethylpentane-1,3-diamine
PubChem CID141278294
Molecular FormulaC7H18N2
Molecular Weight130.23 g/mol
Exact Mass130.15
IUPAC Name2,3-dimethylpentane-1,3-diamine
SMILESCCC(C)(N)C(C)CN
InChIInChI=1S/C7H18N2/c1-4-7(3,9)6(2)5-8/h6H,4-5,8-9H2,1-3H3
InChIKeyIIKZVYPOBOIPEE-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-methylpentan-2-ol
CID 159077240
azane;3-methylpentane-2,3-diamine
CID 174323665
2,3-dimethylpentane-1,2-diamine
CID 130336484
3,3-difluoro-2-methylbutan-1-amine
CID 84647801
2,3,3,4,4-pentamethylpentan-1-amine
CID 146748231
3-amino-2-hydroxy-3-methylpentanoic acid
CID 55290367
1-amino-2,3,4-trimethylhexan-3-ol
CID 79135211
3-amino-2-methylpropane-1,1,1-triol
CID 18979369
2-methylbutan-2-amine;3-methylbutan-1-amine
CID 159699136
1-[3,3-dimethyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-yl]oxy-2,3-dimethylpentan-3-amine
CID 89103507
3-amino-3,4-dimethylpentanoic acid
CID 53414110
(2S,3R)-2-amino-2-hydroxy-3-methylpentanoic acid
CID 91314303

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylpentane-1,3-diamine?
The IUPAC name of 2,3-dimethylpentane-1,3-diamine (CID 141278294) is 2,3-dimethylpentane-1,3-diamine.
What is the SMILES notation for 2,3-dimethylpentane-1,3-diamine?
The canonical SMILES for 2,3-dimethylpentane-1,3-diamine is CCC(C)(N)C(C)CN.
What is the InChIKey of 2,3-dimethylpentane-1,3-diamine?
The InChIKey is IIKZVYPOBOIPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2/c1-4-7(3,9)6(2)5-8/h6H,4-5,8-9H2,1-3H3.
What are the key properties of 2,3-dimethylpentane-1,3-diamine?
2,3-dimethylpentane-1,3-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-1,3-diamine is sourced from PubChem (CID 141278294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).