(Z)-N-ethyl-2-methyl-2-(2-methylphenyl)pent-3-en-1-amine

C15H23N — CID 71002555

IUPAC(Z)-N-ethyl-2-methyl-2-(2-methylphenyl)pent-3-en-1-amine
SMILESC/C=C\C(C)(CNCC)c1ccccc1C
InChIInChI=1S/C15H23N/c1-5-11-15(4,12-16-6-2)14-10-8-7-9-13(14)3/h5,7-11,16H,6,12H2,1-4H3/b11-5-
InChIKeyHJJUENIDUWKMSK-WZUFQYTHSA-N
MW217.36 g/mol
LogP3.44
Rot. Bonds5

About (Z)-N-ethyl-2-methyl-2-(2-methylphenyl)pent-3-en-1-amine

(Z)-N-ethyl-2-methyl-2-(2-methylphenyl)pent-3-en-1-amine (PubChem CID 71002555) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is (Z)-N-ethyl-2-methyl-2-(2-methylphenyl)pent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-N-ethyl-2-methyl-2-(2-methylphenyl)pent-3-en-1-amine
PubChem CID71002555
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name(Z)-N-ethyl-2-methyl-2-(2-methylphenyl)pent-3-en-1-amine
SMILESC/C=C\C(C)(CNCC)c1ccccc1C
InChIInChI=1S/C15H23N/c1-5-11-15(4,12-16-6-2)14-10-8-7-9-13(14)3/h5,7-11,16H,6,12H2,1-4H3/b11-5-
InChIKeyHJJUENIDUWKMSK-WZUFQYTHSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.44
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 (Z)-N-ethyl-2-methyl-2-(2-methylphenyl)pent-3-en-1-amine?
The IUPAC name of (Z)-N-ethyl-2-methyl-2-(2-methylphenyl)pent-3-en-1-amine (CID 71002555) is (Z)-N-ethyl-2-methyl-2-(2-methylphenyl)pent-3-en-1-amine.
What is the SMILES notation for (Z)-N-ethyl-2-methyl-2-(2-methylphenyl)pent-3-en-1-amine?
The canonical SMILES for (Z)-N-ethyl-2-methyl-2-(2-methylphenyl)pent-3-en-1-amine is C/C=C\C(C)(CNCC)c1ccccc1C.
What is the InChIKey of (Z)-N-ethyl-2-methyl-2-(2-methylphenyl)pent-3-en-1-amine?
The InChIKey is HJJUENIDUWKMSK-WZUFQYTHSA-N. The full InChI is InChI=1S/C15H23N/c1-5-11-15(4,12-16-6-2)14-10-8-7-9-13(14)3/h5,7-11,16H,6,12H2,1-4H3/b11-5-.
What are the key properties of (Z)-N-ethyl-2-methyl-2-(2-methylphenyl)pent-3-en-1-amine?
(Z)-N-ethyl-2-methyl-2-(2-methylphenyl)pent-3-en-1-amine has a molecular weight of 217.36 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethyl-2-methyl-2-(2-methylphenyl)pent-3-en-1-amine is sourced from PubChem (CID 71002555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).