2-methyl-N-[(E)-3-phenylprop-2-enyl]prop-2-en-1-amine

C13H17N — CID 88779532

IUPAC2-methyl-N-[(E)-3-phenylprop-2-enyl]prop-2-en-1-amine
SMILESC=C(C)CNC/C=C/c1ccccc1
InChIInChI=1S/C13H17N/c1-12(2)11-14-10-6-9-13-7-4-3-5-8-13/h3-9,14H,1,10-11H2,2H3/b9-6+
InChIKeyGTNCTEXFPIWTAW-RMKNXTFCSA-N
MW187.29 g/mol
LogP2.87
Rot. Bonds5

About 2-methyl-N-[(E)-3-phenylprop-2-enyl]prop-2-en-1-amine

2-methyl-N-[(E)-3-phenylprop-2-enyl]prop-2-en-1-amine (PubChem CID 88779532) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 2-methyl-N-[(E)-3-phenylprop-2-enyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(E)-3-phenylprop-2-enyl]prop-2-en-1-amine
PubChem CID88779532
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name2-methyl-N-[(E)-3-phenylprop-2-enyl]prop-2-en-1-amine
SMILESC=C(C)CNC/C=C/c1ccccc1
InChIInChI=1S/C13H17N/c1-12(2)11-14-10-6-9-13-7-4-3-5-8-13/h3-9,14H,1,10-11H2,2H3/b9-6+
InChIKeyGTNCTEXFPIWTAW-RMKNXTFCSA-N
XLogP2.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(E)-3-phenylprop-2-enyl]prop-2-en-1-amine?
The IUPAC name of 2-methyl-N-[(E)-3-phenylprop-2-enyl]prop-2-en-1-amine (CID 88779532) is 2-methyl-N-[(E)-3-phenylprop-2-enyl]prop-2-en-1-amine.
What is the SMILES notation for 2-methyl-N-[(E)-3-phenylprop-2-enyl]prop-2-en-1-amine?
The canonical SMILES for 2-methyl-N-[(E)-3-phenylprop-2-enyl]prop-2-en-1-amine is C=C(C)CNC/C=C/c1ccccc1.
What is the InChIKey of 2-methyl-N-[(E)-3-phenylprop-2-enyl]prop-2-en-1-amine?
The InChIKey is GTNCTEXFPIWTAW-RMKNXTFCSA-N. The full InChI is InChI=1S/C13H17N/c1-12(2)11-14-10-6-9-13-7-4-3-5-8-13/h3-9,14H,1,10-11H2,2H3/b9-6+.
What are the key properties of 2-methyl-N-[(E)-3-phenylprop-2-enyl]prop-2-en-1-amine?
2-methyl-N-[(E)-3-phenylprop-2-enyl]prop-2-en-1-amine has a molecular weight of 187.29 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(E)-3-phenylprop-2-enyl]prop-2-en-1-amine is sourced from PubChem (CID 88779532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).