(E)-hex-1-ene-1,2-diamine

C6H14N2 — CID 87760091

IUPAC(E)-hex-1-ene-1,2-diamine
SMILESCCCC/C(N)=C\N
InChIInChI=1S/C6H14N2/c1-2-3-4-6(8)5-7/h5H,2-4,7-8H2,1H3/b6-5+
InChIKeyJOBLMIHKTFNXSA-AATRIKPKSA-N
MW114.19 g/mol
LogP0.94
Rot. Bonds3

About (E)-hex-1-ene-1,2-diamine

(E)-hex-1-ene-1,2-diamine (PubChem CID 87760091) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is (E)-hex-1-ene-1,2-diamine.

Molecular Properties

Compound Name(E)-hex-1-ene-1,2-diamine
PubChem CID87760091
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Name(E)-hex-1-ene-1,2-diamine
SMILESCCCC/C(N)=C\N
InChIInChI=1S/C6H14N2/c1-2-3-4-6(8)5-7/h5H,2-4,7-8H2,1H3/b6-5+
InChIKeyJOBLMIHKTFNXSA-AATRIKPKSA-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 (E)-hex-1-ene-1,2-diamine?
The IUPAC name of (E)-hex-1-ene-1,2-diamine (CID 87760091) is (E)-hex-1-ene-1,2-diamine.
What is the SMILES notation for (E)-hex-1-ene-1,2-diamine?
The canonical SMILES for (E)-hex-1-ene-1,2-diamine is CCCC/C(N)=C\N.
What is the InChIKey of (E)-hex-1-ene-1,2-diamine?
The InChIKey is JOBLMIHKTFNXSA-AATRIKPKSA-N. The full InChI is InChI=1S/C6H14N2/c1-2-3-4-6(8)5-7/h5H,2-4,7-8H2,1H3/b6-5+.
What are the key properties of (E)-hex-1-ene-1,2-diamine?
(E)-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 (E)-hex-1-ene-1,2-diamine is sourced from PubChem (CID 87760091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).