hex-5-ene-1,2-diamine

C6H14N2 — CID 15904928

IUPAChex-5-ene-1,2-diamine
SMILESC=CCCC(N)CN
InChIInChI=1S/C6H14N2/c1-2-3-4-6(8)5-7/h2,6H,1,3-5,7-8H2
InChIKeyRGCMVVXOZMQXJQ-UHFFFAOYSA-N
MW114.19 g/mol
LogP0.24
Rot. Bonds4

About hex-5-ene-1,2-diamine

hex-5-ene-1,2-diamine (PubChem CID 15904928) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is hex-5-ene-1,2-diamine.

Molecular Properties

Compound Namehex-5-ene-1,2-diamine
PubChem CID15904928
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Namehex-5-ene-1,2-diamine
SMILESC=CCCC(N)CN
InChIInChI=1S/C6H14N2/c1-2-3-4-6(8)5-7/h2,6H,1,3-5,7-8H2
InChIKeyRGCMVVXOZMQXJQ-UHFFFAOYSA-N
XLogP0.24
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hex-5-ene-1,2-diamine?
The IUPAC name of hex-5-ene-1,2-diamine (CID 15904928) is hex-5-ene-1,2-diamine.
What is the SMILES notation for hex-5-ene-1,2-diamine?
The canonical SMILES for hex-5-ene-1,2-diamine is C=CCCC(N)CN.
What is the InChIKey of hex-5-ene-1,2-diamine?
The InChIKey is RGCMVVXOZMQXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2/c1-2-3-4-6(8)5-7/h2,6H,1,3-5,7-8H2.
What are the key properties of hex-5-ene-1,2-diamine?
hex-5-ene-1,2-diamine has a molecular weight of 114.19 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hex-5-ene-1,2-diamine is sourced from PubChem (CID 15904928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).