(5R)-hexane-2,5-diamine

C6H16N2 — CID 144618459

IUPAC(5R)-hexane-2,5-diamine
SMILESCC(N)CC[C@@H](C)N
InChIInChI=1S/C6H16N2/c1-5(7)3-4-6(2)8/h5-6H,3-4,7-8H2,1-2H3/t5-,6?/m1/s1
InChIKeyBBPXVYVXKAYBSS-LWOQYNTDSA-N
MW116.21 g/mol
LogP0.46
Rot. Bonds3

About (5R)-hexane-2,5-diamine

(5R)-hexane-2,5-diamine (PubChem CID 144618459) has the molecular formula C6H16N2 and a molecular weight of 116.21 g/mol. Its IUPAC name is (5R)-hexane-2,5-diamine.

Molecular Properties

Compound Name(5R)-hexane-2,5-diamine
PubChem CID144618459
Molecular FormulaC6H16N2
Molecular Weight116.21 g/mol
Exact Mass116.13
IUPAC Name(5R)-hexane-2,5-diamine
SMILESCC(N)CC[C@@H](C)N
InChIInChI=1S/C6H16N2/c1-5(7)3-4-6(2)8/h5-6H,3-4,7-8H2,1-2H3/t5-,6?/m1/s1
InChIKeyBBPXVYVXKAYBSS-LWOQYNTDSA-N
XLogP0.46
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.21
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (5R)-hexane-2,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R)-hexane-2,5-diamine?
The IUPAC name of (5R)-hexane-2,5-diamine (CID 144618459) is (5R)-hexane-2,5-diamine.
What is the SMILES notation for (5R)-hexane-2,5-diamine?
The canonical SMILES for (5R)-hexane-2,5-diamine is CC(N)CC[C@@H](C)N.
What is the InChIKey of (5R)-hexane-2,5-diamine?
The InChIKey is BBPXVYVXKAYBSS-LWOQYNTDSA-N. The full InChI is InChI=1S/C6H16N2/c1-5(7)3-4-6(2)8/h5-6H,3-4,7-8H2,1-2H3/t5-,6?/m1/s1.
What are the key properties of (5R)-hexane-2,5-diamine?
(5R)-hexane-2,5-diamine has a molecular weight of 116.21 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-hexane-2,5-diamine is sourced from PubChem (CID 144618459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).