(E)-2-methyl-5-phenylpent-3-en-2-amine

C12H17N — CID 10725934

IUPAC(E)-2-methyl-5-phenylpent-3-en-2-amine
SMILESCC(C)(N)/C=C/Cc1ccccc1
InChIInChI=1S/C12H17N/c1-12(2,13)10-6-9-11-7-4-3-5-8-11/h3-8,10H,9,13H2,1-2H3/b10-6+
InChIKeyVANVICPOHCBPMS-UXBLZVDNSA-N
MW175.28 g/mol
LogP2.52
Rot. Bonds3

About (E)-2-methyl-5-phenylpent-3-en-2-amine

(E)-2-methyl-5-phenylpent-3-en-2-amine (PubChem CID 10725934) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is (E)-2-methyl-5-phenylpent-3-en-2-amine.

Molecular Properties

Compound Name(E)-2-methyl-5-phenylpent-3-en-2-amine
PubChem CID10725934
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name(E)-2-methyl-5-phenylpent-3-en-2-amine
SMILESCC(C)(N)/C=C/Cc1ccccc1
InChIInChI=1S/C12H17N/c1-12(2,13)10-6-9-11-7-4-3-5-8-11/h3-8,10H,9,13H2,1-2H3/b10-6+
InChIKeyVANVICPOHCBPMS-UXBLZVDNSA-N
XLogP2.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.52
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 (E)-2-methyl-5-phenylpent-3-en-2-amine?
The IUPAC name of (E)-2-methyl-5-phenylpent-3-en-2-amine (CID 10725934) is (E)-2-methyl-5-phenylpent-3-en-2-amine.
What is the SMILES notation for (E)-2-methyl-5-phenylpent-3-en-2-amine?
The canonical SMILES for (E)-2-methyl-5-phenylpent-3-en-2-amine is CC(C)(N)/C=C/Cc1ccccc1.
What is the InChIKey of (E)-2-methyl-5-phenylpent-3-en-2-amine?
The InChIKey is VANVICPOHCBPMS-UXBLZVDNSA-N. The full InChI is InChI=1S/C12H17N/c1-12(2,13)10-6-9-11-7-4-3-5-8-11/h3-8,10H,9,13H2,1-2H3/b10-6+.
What are the key properties of (E)-2-methyl-5-phenylpent-3-en-2-amine?
(E)-2-methyl-5-phenylpent-3-en-2-amine has a molecular weight of 175.28 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-5-phenylpent-3-en-2-amine is sourced from PubChem (CID 10725934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).