(E)-N-ethylpent-3-en-1-amine;hydrochloride

C7H16ClN — CID 155386330

IUPAC(E)-N-ethylpent-3-en-1-amine;hydrochloride
SMILESC/C=C/CCNCC.Cl
InChIInChI=1S/C7H15N.ClH/c1-3-5-6-7-8-4-2;/h3,5,8H,4,6-7H2,1-2H3;1H/b5-3+;
InChIKeyXERNMJZBYSMWHC-WGCWOXMQSA-N
MW149.67 g/mol
LogP1.98
Rot. Bonds4

About (E)-N-ethylpent-3-en-1-amine;hydrochloride

(E)-N-ethylpent-3-en-1-amine;hydrochloride (PubChem CID 155386330) has the molecular formula C7H16ClN and a molecular weight of 149.67 g/mol. Its IUPAC name is (E)-N-ethylpent-3-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(E)-N-ethylpent-3-en-1-amine;hydrochloride
PubChem CID155386330
Molecular FormulaC7H16ClN
Molecular Weight149.67 g/mol
Exact Mass149.10
IUPAC Name(E)-N-ethylpent-3-en-1-amine;hydrochloride
SMILESC/C=C/CCNCC.Cl
InChIInChI=1S/C7H15N.ClH/c1-3-5-6-7-8-4-2;/h3,5,8H,4,6-7H2,1-2H3;1H/b5-3+;
InChIKeyXERNMJZBYSMWHC-WGCWOXMQSA-N
XLogP1.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.67
LogP ≤ 51.98
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-ethylpent-3-en-1-amine;hydrochloride?
The IUPAC name of (E)-N-ethylpent-3-en-1-amine;hydrochloride (CID 155386330) is (E)-N-ethylpent-3-en-1-amine;hydrochloride.
What is the SMILES notation for (E)-N-ethylpent-3-en-1-amine;hydrochloride?
The canonical SMILES for (E)-N-ethylpent-3-en-1-amine;hydrochloride is C/C=C/CCNCC.Cl.
What is the InChIKey of (E)-N-ethylpent-3-en-1-amine;hydrochloride?
The InChIKey is XERNMJZBYSMWHC-WGCWOXMQSA-N. The full InChI is InChI=1S/C7H15N.ClH/c1-3-5-6-7-8-4-2;/h3,5,8H,4,6-7H2,1-2H3;1H/b5-3+;.
What are the key properties of (E)-N-ethylpent-3-en-1-amine;hydrochloride?
(E)-N-ethylpent-3-en-1-amine;hydrochloride has a molecular weight of 149.67 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethylpent-3-en-1-amine;hydrochloride is sourced from PubChem (CID 155386330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).