hex-1-ene-1,2-diamine

C6H14N2 — CID 87760092

IUPAChex-1-ene-1,2-diamine
SMILESCCCCC(N)=CN
InChIInChI=1S/C6H14N2/c1-2-3-4-6(8)5-7/h5H,2-4,7-8H2,1H3
InChIKeyJOBLMIHKTFNXSA-UHFFFAOYSA-N
MW114.19 g/mol
LogP0.94
Rot. Bonds3

About hex-1-ene-1,2-diamine

hex-1-ene-1,2-diamine (PubChem CID 87760092) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is hex-1-ene-1,2-diamine.

Molecular Properties

Compound Namehex-1-ene-1,2-diamine
PubChem CID87760092
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Namehex-1-ene-1,2-diamine
SMILESCCCCC(N)=CN
InChIInChI=1S/C6H14N2/c1-2-3-4-6(8)5-7/h5H,2-4,7-8H2,1H3
InChIKeyJOBLMIHKTFNXSA-UHFFFAOYSA-N
XLogP0.94
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of hex-1-ene-1,2-diamine?
The IUPAC name of hex-1-ene-1,2-diamine (CID 87760092) is hex-1-ene-1,2-diamine.
What is the SMILES notation for hex-1-ene-1,2-diamine?
The canonical SMILES for hex-1-ene-1,2-diamine is CCCCC(N)=CN.
What is the InChIKey of hex-1-ene-1,2-diamine?
The InChIKey is JOBLMIHKTFNXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2/c1-2-3-4-6(8)5-7/h5H,2-4,7-8H2,1H3.
What are the key properties of hex-1-ene-1,2-diamine?
hex-1-ene-1,2-diamine has a molecular weight of 114.19 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hex-1-ene-1,2-diamine is sourced from PubChem (CID 87760092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).