(E)-2-phenylpent-3-en-1-amine

C11H15N — CID 131236812

IUPAC(E)-2-phenylpent-3-en-1-amine
SMILESC/C=C/C(CN)c1ccccc1
InChIInChI=1S/C11H15N/c1-2-6-11(9-12)10-7-4-3-5-8-10/h2-8,11H,9,12H2,1H3/b6-2+
InChIKeyNWGNCSRKVAVOCO-QHHAFSJGSA-N
MW161.25 g/mol
LogP2.31
Rot. Bonds3

About (E)-2-phenylpent-3-en-1-amine

(E)-2-phenylpent-3-en-1-amine (PubChem CID 131236812) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is (E)-2-phenylpent-3-en-1-amine.

Molecular Properties

Compound Name(E)-2-phenylpent-3-en-1-amine
PubChem CID131236812
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name(E)-2-phenylpent-3-en-1-amine
SMILESC/C=C/C(CN)c1ccccc1
InChIInChI=1S/C11H15N/c1-2-6-11(9-12)10-7-4-3-5-8-10/h2-8,11H,9,12H2,1H3/b6-2+
InChIKeyNWGNCSRKVAVOCO-QHHAFSJGSA-N
XLogP2.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z,2S)-2-phenylpent-3-en-1-ol
CID 129386000
oct-2-en-4-ylbenzene
CID 73177891
[(Z)-2-phenylpent-3-enyl] acetate
CID 10512396
2-phenylbut-3-en-1-amine;hydrochloride
CID 23037991
[(2E,5E)-hepta-2,5-dien-4-yl]benzene
CID 102268055
5-phenylhept-2-en-4-amine
CID 174938173
CID 101008842
CID 101008842
[(Z)-pent-3-en-2-yl]benzene
CID 12697650
2-phenylpentane-1,3-diamine
CID 57298875
2-amino-N-(1-phenylbut-2-enyl)acetamide
CID 142883546
1-phenylpent-3-ene-1,2-diol
CID 72819461
1-methylsulfanylbut-2-enylbenzene
CID 146497381

Frequently Asked Questions

What is the IUPAC name of (E)-2-phenylpent-3-en-1-amine?
The IUPAC name of (E)-2-phenylpent-3-en-1-amine (CID 131236812) is (E)-2-phenylpent-3-en-1-amine.
What is the SMILES notation for (E)-2-phenylpent-3-en-1-amine?
The canonical SMILES for (E)-2-phenylpent-3-en-1-amine is C/C=C/C(CN)c1ccccc1.
What is the InChIKey of (E)-2-phenylpent-3-en-1-amine?
The InChIKey is NWGNCSRKVAVOCO-QHHAFSJGSA-N. The full InChI is InChI=1S/C11H15N/c1-2-6-11(9-12)10-7-4-3-5-8-10/h2-8,11H,9,12H2,1H3/b6-2+.
What are the key properties of (E)-2-phenylpent-3-en-1-amine?
(E)-2-phenylpent-3-en-1-amine has a molecular weight of 161.25 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-phenylpent-3-en-1-amine is sourced from PubChem (CID 131236812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).