(E)-hex-4-en-1-amine

C6H13N — CID 5466587

IUPAC(E)-hex-4-en-1-amine
SMILESC/C=C/CCCN
InChIInChI=1S/C6H13N/c1-2-3-4-5-6-7/h2-3H,4-7H2,1H3/b3-2+
InChIKeyAZJUGPLDDAZZTB-NSCUHMNNSA-N
MW99.18 g/mol
LogP1.30
Rot. Bonds3

About (E)-hex-4-en-1-amine

(E)-hex-4-en-1-amine (PubChem CID 5466587) has the molecular formula C6H13N and a molecular weight of 99.18 g/mol. Its IUPAC name is (E)-hex-4-en-1-amine.

Molecular Properties

Compound Name(E)-hex-4-en-1-amine
PubChem CID5466587
Molecular FormulaC6H13N
Molecular Weight99.18 g/mol
Exact Mass99.10
IUPAC Name(E)-hex-4-en-1-amine
SMILESC/C=C/CCCN
InChIInChI=1S/C6H13N/c1-2-3-4-5-6-7/h2-3H,4-7H2,1H3/b3-2+
InChIKeyAZJUGPLDDAZZTB-NSCUHMNNSA-N
XLogP1.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.18
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Pent-4-enylamine
CID 533854
5-Methylhex-4-en-1-amine
CID 14008167
Pent-3-en-1-amine hydrochloride
CID 54593494
(2E)-pent-2-en-1-amine hydrochloride
CID 121552531
4-Octene-1,8-diamine
CID 3023535
(E)-3-methylpent-3-en-1-amine
CID 12259673
2-Hexenylamine
CID 10492355
Pent-3-enylamine
CID 5466580
Hept-3-en-1-amine hydrochloride
CID 155822393
(4E)-6,6-dimethylhept-4-en-1-amine hydrochloride
CID 178243152
N-[(E)-hex-4-enyl]hydroxylamine
CID 13493721
1-Amino-pent-3-ene
CID 533840

Frequently Asked Questions

What is the IUPAC name of (E)-hex-4-en-1-amine?
The IUPAC name of (E)-hex-4-en-1-amine (CID 5466587) is (E)-hex-4-en-1-amine.
What is the SMILES notation for (E)-hex-4-en-1-amine?
The canonical SMILES for (E)-hex-4-en-1-amine is C/C=C/CCCN.
What is the InChIKey of (E)-hex-4-en-1-amine?
The InChIKey is AZJUGPLDDAZZTB-NSCUHMNNSA-N. The full InChI is InChI=1S/C6H13N/c1-2-3-4-5-6-7/h2-3H,4-7H2,1H3/b3-2+.
What are the key properties of (E)-hex-4-en-1-amine?
(E)-hex-4-en-1-amine has a molecular weight of 99.18 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-hex-4-en-1-amine is sourced from PubChem (CID 5466587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).