1-phenylpent-4-en-2-amine;hydrochloride

C11H16ClN — CID 20253

IUPAC1-phenylpent-4-en-2-amine;hydrochloride
SMILESC=CCC(N)Cc1ccccc1.Cl
InChIInChI=1S/C11H15N.ClH/c1-2-6-11(12)9-10-7-4-3-5-8-10;/h2-5,7-8,11H,1,6,9,12H2;1H
InChIKeySSUPWSZOVWZDRV-UHFFFAOYSA-N
MW197.71 g/mol
LogP2.55
Rot. Bonds4

About 1-phenylpent-4-en-2-amine;hydrochloride

1-phenylpent-4-en-2-amine;hydrochloride (PubChem CID 20253) has the molecular formula C11H16ClN and a molecular weight of 197.71 g/mol. Its IUPAC name is 1-phenylpent-4-en-2-amine;hydrochloride.

Molecular Properties

Compound Name1-phenylpent-4-en-2-amine;hydrochloride
PubChem CID20253
Molecular FormulaC11H16ClN
Molecular Weight197.71 g/mol
Exact Mass197.10
IUPAC Name1-phenylpent-4-en-2-amine;hydrochloride
SMILESC=CCC(N)Cc1ccccc1.Cl
InChIInChI=1S/C11H15N.ClH/c1-2-6-11(12)9-10-7-4-3-5-8-10;/h2-5,7-8,11H,1,6,9,12H2;1H
InChIKeySSUPWSZOVWZDRV-UHFFFAOYSA-N
XLogP2.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.71
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-phenylpent-4-en-2-amine;hydrochloride?
The IUPAC name of 1-phenylpent-4-en-2-amine;hydrochloride (CID 20253) is 1-phenylpent-4-en-2-amine;hydrochloride.
What is the SMILES notation for 1-phenylpent-4-en-2-amine;hydrochloride?
The canonical SMILES for 1-phenylpent-4-en-2-amine;hydrochloride is C=CCC(N)Cc1ccccc1.Cl.
What is the InChIKey of 1-phenylpent-4-en-2-amine;hydrochloride?
The InChIKey is SSUPWSZOVWZDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.ClH/c1-2-6-11(12)9-10-7-4-3-5-8-10;/h2-5,7-8,11H,1,6,9,12H2;1H.
What are the key properties of 1-phenylpent-4-en-2-amine;hydrochloride?
1-phenylpent-4-en-2-amine;hydrochloride has a molecular weight of 197.71 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylpent-4-en-2-amine;hydrochloride is sourced from PubChem (CID 20253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).