hex-5-ene-1,5-diamine

C6H14N2 — CID 88957286

IUPAChex-5-ene-1,5-diamine
SMILESC=C(N)CCCCN
InChIInChI=1S/C6H14N2/c1-6(8)4-2-3-5-7/h1-5,7-8H2
InChIKeyQCKOSUPKBZZCTP-UHFFFAOYSA-N
MW114.19 g/mol
LogP0.59
Rot. Bonds4

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

hex-5-ene-1,5-diamine (PubChem CID 88957286) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is hex-5-ene-1,5-diamine.

Molecular Properties

Compound Namehex-5-ene-1,5-diamine
PubChem CID88957286
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Namehex-5-ene-1,5-diamine
SMILESC=C(N)CCCCN
InChIInChI=1S/C6H14N2/c1-6(8)4-2-3-5-7/h1-5,7-8H2
InChIKeyQCKOSUPKBZZCTP-UHFFFAOYSA-N
XLogP0.59
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 ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hex-5-ene-1,5-diamine?
The IUPAC name of hex-5-ene-1,5-diamine (CID 88957286) is hex-5-ene-1,5-diamine.
What is the SMILES notation for hex-5-ene-1,5-diamine?
The canonical SMILES for hex-5-ene-1,5-diamine is C=C(N)CCCCN.
What is the InChIKey of hex-5-ene-1,5-diamine?
The InChIKey is QCKOSUPKBZZCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2/c1-6(8)4-2-3-5-7/h1-5,7-8H2.
What are the key properties of hex-5-ene-1,5-diamine?
hex-5-ene-1,5-diamine has a molecular weight of 114.19 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hex-5-ene-1,5-diamine is sourced from PubChem (CID 88957286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).