hexane-1,3-diamine

C6H16N2 — CID 19880522

IUPAChexane-1,3-diamine
SMILESCCCC(N)CCN
InChIInChI=1S/C6H16N2/c1-2-3-6(8)4-5-7/h6H,2-5,7-8H2,1H3
InChIKeyRPLXGDGIXIJNQD-UHFFFAOYSA-N
MW116.21 g/mol
LogP0.46
Rot. Bonds4

About hexane-1,3-diamine

hexane-1,3-diamine (PubChem CID 19880522) has the molecular formula C6H16N2 and a molecular weight of 116.21 g/mol. Its IUPAC name is hexane-1,3-diamine.

Molecular Properties

Compound Namehexane-1,3-diamine
PubChem CID19880522
Molecular FormulaC6H16N2
Molecular Weight116.21 g/mol
Exact Mass116.13
IUPAC Namehexane-1,3-diamine
SMILESCCCC(N)CCN
InChIInChI=1S/C6H16N2/c1-2-3-6(8)4-5-7/h6H,2-5,7-8H2,1H3
InChIKeyRPLXGDGIXIJNQD-UHFFFAOYSA-N
XLogP0.46
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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-1,3-diamine?
The IUPAC name of hexane-1,3-diamine (CID 19880522) is hexane-1,3-diamine.
What is the SMILES notation for hexane-1,3-diamine?
The canonical SMILES for hexane-1,3-diamine is CCCC(N)CCN.
What is the InChIKey of hexane-1,3-diamine?
The InChIKey is RPLXGDGIXIJNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2/c1-2-3-6(8)4-5-7/h6H,2-5,7-8H2,1H3.
What are the key properties of hexane-1,3-diamine?
hexane-1,3-diamine has a molecular weight of 116.21 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexane-1,3-diamine is sourced from PubChem (CID 19880522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).