(E)-1-(4-methylphenyl)pent-1-en-3-amine

C12H17N — CID 10583398

IUPAC(E)-1-(4-methylphenyl)pent-1-en-3-amine
SMILESCCC(N)/C=C/c1ccc(C)cc1
InChIInChI=1S/C12H17N/c1-3-12(13)9-8-11-6-4-10(2)5-7-11/h4-9,12H,3,13H2,1-2H3/b9-8+
InChIKeyVLJDCTNLXSZSGK-CMDGGOBGSA-N
MW175.27 g/mol
LogP2.75
Rot. Bonds3

About (E)-1-(4-methylphenyl)pent-1-en-3-amine

(E)-1-(4-methylphenyl)pent-1-en-3-amine (PubChem CID 10583398) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is (E)-1-(4-methylphenyl)pent-1-en-3-amine.

Molecular Properties

Compound Name(E)-1-(4-methylphenyl)pent-1-en-3-amine
PubChem CID10583398
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name(E)-1-(4-methylphenyl)pent-1-en-3-amine
SMILESCCC(N)/C=C/c1ccc(C)cc1
InChIInChI=1S/C12H17N/c1-3-12(13)9-8-11-6-4-10(2)5-7-11/h4-9,12H,3,13H2,1-2H3/b9-8+
InChIKeyVLJDCTNLXSZSGK-CMDGGOBGSA-N
XLogP2.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-methylphenyl)pent-1-en-3-amine?
The IUPAC name of (E)-1-(4-methylphenyl)pent-1-en-3-amine (CID 10583398) is (E)-1-(4-methylphenyl)pent-1-en-3-amine.
What is the SMILES notation for (E)-1-(4-methylphenyl)pent-1-en-3-amine?
The canonical SMILES for (E)-1-(4-methylphenyl)pent-1-en-3-amine is CCC(N)/C=C/c1ccc(C)cc1.
What is the InChIKey of (E)-1-(4-methylphenyl)pent-1-en-3-amine?
The InChIKey is VLJDCTNLXSZSGK-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H17N/c1-3-12(13)9-8-11-6-4-10(2)5-7-11/h4-9,12H,3,13H2,1-2H3/b9-8+.
What are the key properties of (E)-1-(4-methylphenyl)pent-1-en-3-amine?
(E)-1-(4-methylphenyl)pent-1-en-3-amine has a molecular weight of 175.27 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-methylphenyl)pent-1-en-3-amine is sourced from PubChem (CID 10583398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).