(3S)-5-methylhexane-1,3-diamine

C7H18N2 — CID 11073452

IUPAC(3S)-5-methylhexane-1,3-diamine
SMILESCC(C)C[C@H](N)CCN
InChIInChI=1S/C7H18N2/c1-6(2)5-7(9)3-4-8/h6-7H,3-5,8-9H2,1-2H3/t7-/m1/s1
InChIKeyVIZDVWMUBSZSMV-SSDOTTSWSA-N
MW130.23 g/mol
LogP0.71
Rot. Bonds4

About (3S)-5-methylhexane-1,3-diamine

(3S)-5-methylhexane-1,3-diamine (PubChem CID 11073452) has the molecular formula C7H18N2 and a molecular weight of 130.23 g/mol. Its IUPAC name is (3S)-5-methylhexane-1,3-diamine.

Molecular Properties

Compound Name(3S)-5-methylhexane-1,3-diamine
PubChem CID11073452
Molecular FormulaC7H18N2
Molecular Weight130.23 g/mol
Exact Mass130.15
IUPAC Name(3S)-5-methylhexane-1,3-diamine
SMILESCC(C)C[C@H](N)CCN
InChIInChI=1S/C7H18N2/c1-6(2)5-7(9)3-4-8/h6-7H,3-5,8-9H2,1-2H3/t7-/m1/s1
InChIKeyVIZDVWMUBSZSMV-SSDOTTSWSA-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 ≤ 500130.23
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-5-methylhexane-1,3-diamine?
The IUPAC name of (3S)-5-methylhexane-1,3-diamine (CID 11073452) is (3S)-5-methylhexane-1,3-diamine.
What is the SMILES notation for (3S)-5-methylhexane-1,3-diamine?
The canonical SMILES for (3S)-5-methylhexane-1,3-diamine is CC(C)C[C@H](N)CCN.
What is the InChIKey of (3S)-5-methylhexane-1,3-diamine?
The InChIKey is VIZDVWMUBSZSMV-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H18N2/c1-6(2)5-7(9)3-4-8/h6-7H,3-5,8-9H2,1-2H3/t7-/m1/s1.
What are the key properties of (3S)-5-methylhexane-1,3-diamine?
(3S)-5-methylhexane-1,3-diamine has a molecular weight of 130.23 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 (3S)-5-methylhexane-1,3-diamine is sourced from PubChem (CID 11073452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).