2,4-dimethylpentane-1,2-diamine

C7H18N2 — CID 3062927

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

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

2,4-dimethylpentane-1,2-diamine (PubChem CID 3062927) has the molecular formula C7H18N2 and a molecular weight of 130.23 g/mol. Its IUPAC name is 2,4-dimethylpentane-1,2-diamine.

Molecular Properties

Compound Name2,4-dimethylpentane-1,2-diamine
PubChem CID3062927
Molecular FormulaC7H18N2
Molecular Weight130.23 g/mol
Exact Mass130.15
IUPAC Name2,4-dimethylpentane-1,2-diamine
SMILESCC(C)CC(C)(N)CN
InChIInChI=1S/C7H18N2/c1-6(2)4-7(3,9)5-8/h6H,4-5,8-9H2,1-3H3
InChIKeyJIWVNNBIBQCVCD-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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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpentane-1,2-diamine?
The IUPAC name of 2,4-dimethylpentane-1,2-diamine (CID 3062927) is 2,4-dimethylpentane-1,2-diamine.
What is the SMILES notation for 2,4-dimethylpentane-1,2-diamine?
The canonical SMILES for 2,4-dimethylpentane-1,2-diamine is CC(C)CC(C)(N)CN.
What is the InChIKey of 2,4-dimethylpentane-1,2-diamine?
The InChIKey is JIWVNNBIBQCVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2/c1-6(2)4-7(3,9)5-8/h6H,4-5,8-9H2,1-3H3.
What are the key properties of 2,4-dimethylpentane-1,2-diamine?
2,4-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 2,4-dimethylpentane-1,2-diamine is sourced from PubChem (CID 3062927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).