4-methylhexane-1,3-diamine

C7H18N2 — CID 18314362

IUPAC4-methylhexane-1,3-diamine
SMILESCCC(C)C(N)CCN
InChIInChI=1S/C7H18N2/c1-3-6(2)7(9)4-5-8/h6-7H,3-5,8-9H2,1-2H3
InChIKeyHKTQMCDAQDHXDJ-UHFFFAOYSA-N
MW130.24 g/mol
LogP0.71
Rot. Bonds4

About 4-methylhexane-1,3-diamine

4-methylhexane-1,3-diamine (PubChem CID 18314362) has the molecular formula C7H18N2 and a molecular weight of 130.24 g/mol. Its IUPAC name is 4-methylhexane-1,3-diamine.

Molecular Properties

Compound Name4-methylhexane-1,3-diamine
PubChem CID18314362
Molecular FormulaC7H18N2
Molecular Weight130.24 g/mol
Exact Mass130.15
IUPAC Name4-methylhexane-1,3-diamine
SMILESCCC(C)C(N)CCN
InChIInChI=1S/C7H18N2/c1-3-6(2)7(9)4-5-8/h6-7H,3-5,8-9H2,1-2H3
InChIKeyHKTQMCDAQDHXDJ-UHFFFAOYSA-N
XLogP0.71
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.24
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methylhexane-1,3-diamine?
The IUPAC name of 4-methylhexane-1,3-diamine (CID 18314362) is 4-methylhexane-1,3-diamine.
What is the SMILES notation for 4-methylhexane-1,3-diamine?
The canonical SMILES for 4-methylhexane-1,3-diamine is CCC(C)C(N)CCN.
What is the InChIKey of 4-methylhexane-1,3-diamine?
The InChIKey is HKTQMCDAQDHXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2/c1-3-6(2)7(9)4-5-8/h6-7H,3-5,8-9H2,1-2H3.
What are the key properties of 4-methylhexane-1,3-diamine?
4-methylhexane-1,3-diamine has a molecular weight of 130.24 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylhexane-1,3-diamine is sourced from PubChem (CID 18314362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).