(E)-oct-3-en-1-amine

C8H17N — CID 10749532

IUPAC(E)-oct-3-en-1-amine
SMILESCCCC/C=C/CCN
InChIInChI=1S/C8H17N/c1-2-3-4-5-6-7-8-9/h5-6H,2-4,7-9H2,1H3/b6-5+
InChIKeyHSAPJOXDOORRLD-AATRIKPKSA-N
MW127.23 g/mol
LogP2.08
Rot. Bonds5

About (E)-oct-3-en-1-amine

(E)-oct-3-en-1-amine (PubChem CID 10749532) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is (E)-oct-3-en-1-amine.

Molecular Properties

Compound Name(E)-oct-3-en-1-amine
PubChem CID10749532
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name(E)-oct-3-en-1-amine
SMILESCCCC/C=C/CCN
InChIInChI=1S/C8H17N/c1-2-3-4-5-6-7-8-9/h5-6H,2-4,7-9H2,1H3/b6-5+
InChIKeyHSAPJOXDOORRLD-AATRIKPKSA-N
XLogP2.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 52.08
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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Frequently Asked Questions

What is the IUPAC name of (E)-oct-3-en-1-amine?
The IUPAC name of (E)-oct-3-en-1-amine (CID 10749532) is (E)-oct-3-en-1-amine.
What is the SMILES notation for (E)-oct-3-en-1-amine?
The canonical SMILES for (E)-oct-3-en-1-amine is CCCC/C=C/CCN.
What is the InChIKey of (E)-oct-3-en-1-amine?
The InChIKey is HSAPJOXDOORRLD-AATRIKPKSA-N. The full InChI is InChI=1S/C8H17N/c1-2-3-4-5-6-7-8-9/h5-6H,2-4,7-9H2,1H3/b6-5+.
What are the key properties of (E)-oct-3-en-1-amine?
(E)-oct-3-en-1-amine has a molecular weight of 127.23 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-oct-3-en-1-amine is sourced from PubChem (CID 10749532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).