1-phenylpent-4-en-2-amine

C11H15N — CID 20254

IUPAC1-phenylpent-4-en-2-amine
SMILESC=CCC(N)Cc1ccccc1
InChIInChI=1S/C11H15N/c1-2-6-11(12)9-10-7-4-3-5-8-10/h2-5,7-8,11H,1,6,9,12H2
InChIKeyWQKXQJYCZMWOSD-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.13
Rot. Bonds4

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

1-phenylpent-4-en-2-amine (PubChem CID 20254) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 1-phenylpent-4-en-2-amine.

Molecular Properties

Compound Name1-phenylpent-4-en-2-amine
PubChem CID20254
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name1-phenylpent-4-en-2-amine
SMILESC=CCC(N)Cc1ccccc1
InChIInChI=1S/C11H15N/c1-2-6-11(12)9-10-7-4-3-5-8-10/h2-5,7-8,11H,1,6,9,12H2
InChIKeyWQKXQJYCZMWOSD-UHFFFAOYSA-N
XLogP2.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.13
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?
The IUPAC name of 1-phenylpent-4-en-2-amine (CID 20254) is 1-phenylpent-4-en-2-amine.
What is the SMILES notation for 1-phenylpent-4-en-2-amine?
The canonical SMILES for 1-phenylpent-4-en-2-amine is C=CCC(N)Cc1ccccc1.
What is the InChIKey of 1-phenylpent-4-en-2-amine?
The InChIKey is WQKXQJYCZMWOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-2-6-11(12)9-10-7-4-3-5-8-10/h2-5,7-8,11H,1,6,9,12H2.
What are the key properties of 1-phenylpent-4-en-2-amine?
1-phenylpent-4-en-2-amine has a molecular weight of 161.25 g/mol, XLogP of 2.13, 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 is sourced from PubChem (CID 20254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).