N-[(E)-2-methyl-3-phenylprop-2-enyl]pent-4-en-2-amine

C15H21N — CID 115633162

IUPACN-[(E)-2-methyl-3-phenylprop-2-enyl]pent-4-en-2-amine
SMILESC=CCC(C)NC/C(C)=C/c1ccccc1
InChIInChI=1S/C15H21N/c1-4-8-14(3)16-12-13(2)11-15-9-6-5-7-10-15/h4-7,9-11,14,16H,1,8,12H2,2-3H3/b13-11+
InChIKeyGPDWBTXDYTWGEK-ACCUITESSA-N
MW215.34 g/mol
LogP3.64
Rot. Bonds6

About N-[(E)-2-methyl-3-phenylprop-2-enyl]pent-4-en-2-amine

N-[(E)-2-methyl-3-phenylprop-2-enyl]pent-4-en-2-amine (PubChem CID 115633162) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is N-[(E)-2-methyl-3-phenylprop-2-enyl]pent-4-en-2-amine.

Molecular Properties

Compound NameN-[(E)-2-methyl-3-phenylprop-2-enyl]pent-4-en-2-amine
PubChem CID115633162
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC NameN-[(E)-2-methyl-3-phenylprop-2-enyl]pent-4-en-2-amine
SMILESC=CCC(C)NC/C(C)=C/c1ccccc1
InChIInChI=1S/C15H21N/c1-4-8-14(3)16-12-13(2)11-15-9-6-5-7-10-15/h4-7,9-11,14,16H,1,8,12H2,2-3H3/b13-11+
InChIKeyGPDWBTXDYTWGEK-ACCUITESSA-N
XLogP3.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(E)-2-methyl-3-phenylprop-2-enyl]pent-4-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butan-2-yl-2-methyl-3-phenylprop-2-en-1-amine
CID 75598908
(E)-N-(1-cyclopropylethyl)-2-methyl-3-phenylprop-2-en-1-amine
CID 115605460
[(1Z)-2-methylpenta-1,4-dienyl]benzene
CID 14247244
2-methyl-N-(1-naphthalen-1-ylethyl)-3-phenylprop-2-en-1-amine
CID 57178227
3-methyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]butan-1-amine;hydrochloride
CID 115605434
N-tert-butyl-2-methyl-3-phenylprop-2-en-1-amine
CID 72556558
N-[(4-phenylphenyl)methyl]pent-4-en-2-amine
CID 115633215
(E)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methyl-3-phenylprop-2-en-1-amine
CID 66895858
(2-methyl-3-phenylprop-1-enyl)benzene
CID 15841501
4,6-dimethylnona-1,8-dien-5-one;styrene
CID 66739341
(E)-2-methyl-3-phenyl-N-(3-propan-2-yloxypropyl)prop-2-en-1-amine
CID 119107756
phenyl N-pent-4-en-2-ylcarbamate
CID 115631343

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-methyl-3-phenylprop-2-enyl]pent-4-en-2-amine?
The IUPAC name of N-[(E)-2-methyl-3-phenylprop-2-enyl]pent-4-en-2-amine (CID 115633162) is N-[(E)-2-methyl-3-phenylprop-2-enyl]pent-4-en-2-amine.
What is the SMILES notation for N-[(E)-2-methyl-3-phenylprop-2-enyl]pent-4-en-2-amine?
The canonical SMILES for N-[(E)-2-methyl-3-phenylprop-2-enyl]pent-4-en-2-amine is C=CCC(C)NC/C(C)=C/c1ccccc1.
What is the InChIKey of N-[(E)-2-methyl-3-phenylprop-2-enyl]pent-4-en-2-amine?
The InChIKey is GPDWBTXDYTWGEK-ACCUITESSA-N. The full InChI is InChI=1S/C15H21N/c1-4-8-14(3)16-12-13(2)11-15-9-6-5-7-10-15/h4-7,9-11,14,16H,1,8,12H2,2-3H3/b13-11+.
What are the key properties of N-[(E)-2-methyl-3-phenylprop-2-enyl]pent-4-en-2-amine?
N-[(E)-2-methyl-3-phenylprop-2-enyl]pent-4-en-2-amine has a molecular weight of 215.34 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-methyl-3-phenylprop-2-enyl]pent-4-en-2-amine is sourced from PubChem (CID 115633162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).