2,3-dimethylpentane-1,4-diamine

C7H18N2 — CID 23031274

IUPAC2,3-dimethylpentane-1,4-diamine
SMILESCC(N)C(C)C(C)CN
InChIInChI=1S/C7H18N2/c1-5(4-8)6(2)7(3)9/h5-7H,4,8-9H2,1-3H3
InChIKeyXYCGWJLLLHXYMK-UHFFFAOYSA-N
MW130.23 g/mol
LogP0.56
Rot. Bonds3

About 2,3-dimethylpentane-1,4-diamine

2,3-dimethylpentane-1,4-diamine (PubChem CID 23031274) has the molecular formula C7H18N2 and a molecular weight of 130.23 g/mol. Its IUPAC name is 2,3-dimethylpentane-1,4-diamine.

Molecular Properties

Compound Name2,3-dimethylpentane-1,4-diamine
PubChem CID23031274
Molecular FormulaC7H18N2
Molecular Weight130.23 g/mol
Exact Mass130.15
IUPAC Name2,3-dimethylpentane-1,4-diamine
SMILESCC(N)C(C)C(C)CN
InChIInChI=1S/C7H18N2/c1-5(4-8)6(2)7(3)9/h5-7H,4,8-9H2,1-3H3
InChIKeyXYCGWJLLLHXYMK-UHFFFAOYSA-N
XLogP0.56
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 ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylpentane-1,4-diamine?
The IUPAC name of 2,3-dimethylpentane-1,4-diamine (CID 23031274) is 2,3-dimethylpentane-1,4-diamine.
What is the SMILES notation for 2,3-dimethylpentane-1,4-diamine?
The canonical SMILES for 2,3-dimethylpentane-1,4-diamine is CC(N)C(C)C(C)CN.
What is the InChIKey of 2,3-dimethylpentane-1,4-diamine?
The InChIKey is XYCGWJLLLHXYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2/c1-5(4-8)6(2)7(3)9/h5-7H,4,8-9H2,1-3H3.
What are the key properties of 2,3-dimethylpentane-1,4-diamine?
2,3-dimethylpentane-1,4-diamine has a molecular weight of 130.23 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylpentane-1,4-diamine is sourced from PubChem (CID 23031274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).