2-methylhexane-2,3-diamine

C7H18N2 — CID 18418765

IUPAC2-methylhexane-2,3-diamine
SMILESCCCC(N)C(C)(C)N
InChIInChI=1S/C7H18N2/c1-4-5-6(8)7(2,3)9/h6H,4-5,8-9H2,1-3H3
InChIKeyUWQVYACRAIPQKP-UHFFFAOYSA-N
MW130.23 g/mol
LogP0.85
Rot. Bonds3

About 2-methylhexane-2,3-diamine

2-methylhexane-2,3-diamine (PubChem CID 18418765) has the molecular formula C7H18N2 and a molecular weight of 130.23 g/mol. Its IUPAC name is 2-methylhexane-2,3-diamine.

Molecular Properties

Compound Name2-methylhexane-2,3-diamine
PubChem CID18418765
Molecular FormulaC7H18N2
Molecular Weight130.23 g/mol
Exact Mass130.15
IUPAC Name2-methylhexane-2,3-diamine
SMILESCCCC(N)C(C)(C)N
InChIInChI=1S/C7H18N2/c1-4-5-6(8)7(2,3)9/h6H,4-5,8-9H2,1-3H3
InChIKeyUWQVYACRAIPQKP-UHFFFAOYSA-N
XLogP0.85
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 ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylhexane-2,3-diamine?
The IUPAC name of 2-methylhexane-2,3-diamine (CID 18418765) is 2-methylhexane-2,3-diamine.
What is the SMILES notation for 2-methylhexane-2,3-diamine?
The canonical SMILES for 2-methylhexane-2,3-diamine is CCCC(N)C(C)(C)N.
What is the InChIKey of 2-methylhexane-2,3-diamine?
The InChIKey is UWQVYACRAIPQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2/c1-4-5-6(8)7(2,3)9/h6H,4-5,8-9H2,1-3H3.
What are the key properties of 2-methylhexane-2,3-diamine?
2-methylhexane-2,3-diamine has a molecular weight of 130.23 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylhexane-2,3-diamine is sourced from PubChem (CID 18418765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).