(E)-N-ethylbut-2-en-1-amine

C6H13N — CID 14917814

IUPAC(E)-N-ethylbut-2-en-1-amine
SMILESC/C=C/CNCC
InChIInChI=1S/C6H13N/c1-3-5-6-7-4-2/h3,5,7H,4,6H2,1-2H3/b5-3+
InChIKeyCJQBPKXBGUJQRP-HWKANZROSA-N
MW99.18 g/mol
LogP1.17
Rot. Bonds3

About (E)-N-ethylbut-2-en-1-amine

(E)-N-ethylbut-2-en-1-amine (PubChem CID 14917814) has the molecular formula C6H13N and a molecular weight of 99.18 g/mol. Its IUPAC name is (E)-N-ethylbut-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-ethylbut-2-en-1-amine
PubChem CID14917814
Molecular FormulaC6H13N
Molecular Weight99.18 g/mol
Exact Mass99.10
IUPAC Name(E)-N-ethylbut-2-en-1-amine
SMILESC/C=C/CNCC
InChIInChI=1S/C6H13N/c1-3-5-6-7-4-2/h3,5,7H,4,6H2,1-2H3/b5-3+
InChIKeyCJQBPKXBGUJQRP-HWKANZROSA-N
XLogP1.17
TPSA12.03 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 ≤ 51.17
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)-N-ethylbut-2-en-1-amine?
The IUPAC name of (E)-N-ethylbut-2-en-1-amine (CID 14917814) is (E)-N-ethylbut-2-en-1-amine.
What is the SMILES notation for (E)-N-ethylbut-2-en-1-amine?
The canonical SMILES for (E)-N-ethylbut-2-en-1-amine is C/C=C/CNCC.
What is the InChIKey of (E)-N-ethylbut-2-en-1-amine?
The InChIKey is CJQBPKXBGUJQRP-HWKANZROSA-N. The full InChI is InChI=1S/C6H13N/c1-3-5-6-7-4-2/h3,5,7H,4,6H2,1-2H3/b5-3+.
What are the key properties of (E)-N-ethylbut-2-en-1-amine?
(E)-N-ethylbut-2-en-1-amine has a molecular weight of 99.18 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethylbut-2-en-1-amine is sourced from PubChem (CID 14917814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).