hexane-2,5-diamine

C6H16N2 — CID 14849721

IUPAChexane-2,5-diamine
SMILESCC(N)CCC(C)N
InChIInChI=1S/C6H16N2/c1-5(7)3-4-6(2)8/h5-6H,3-4,7-8H2,1-2H3
InChIKeyBBPXVYVXKAYBSS-UHFFFAOYSA-N
MW116.21 g/mol
LogP0.46
Rot. Bonds3

About hexane-2,5-diamine

hexane-2,5-diamine (PubChem CID 14849721) has the molecular formula C6H16N2 and a molecular weight of 116.21 g/mol. Its IUPAC name is hexane-2,5-diamine.

Molecular Properties

Compound Namehexane-2,5-diamine
PubChem CID14849721
Molecular FormulaC6H16N2
Molecular Weight116.21 g/mol
Exact Mass116.13
IUPAC Namehexane-2,5-diamine
SMILESCC(N)CCC(C)N
InChIInChI=1S/C6H16N2/c1-5(7)3-4-6(2)8/h5-6H,3-4,7-8H2,1-2H3
InChIKeyBBPXVYVXKAYBSS-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of hexane-2,5-diamine?
The IUPAC name of hexane-2,5-diamine (CID 14849721) is hexane-2,5-diamine.
What is the SMILES notation for hexane-2,5-diamine?
The canonical SMILES for hexane-2,5-diamine is CC(N)CCC(C)N.
What is the InChIKey of hexane-2,5-diamine?
The InChIKey is BBPXVYVXKAYBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2/c1-5(7)3-4-6(2)8/h5-6H,3-4,7-8H2,1-2H3.
What are the key properties of hexane-2,5-diamine?
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 hexane-2,5-diamine is sourced from PubChem (CID 14849721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).