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

C13H17N — CID 70585759

IUPAC2-methyl-N-(3-phenylprop-2-enyl)prop-2-en-1-amine
SMILESC=C(C)CNCC=Cc1ccccc1
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
InChIKeyGTNCTEXFPIWTAW-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.87
Rot. Bonds5

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

2-methyl-N-(3-phenylprop-2-enyl)prop-2-en-1-amine (PubChem CID 70585759) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 2-methyl-N-(3-phenylprop-2-enyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-methyl-N-(3-phenylprop-2-enyl)prop-2-en-1-amine
PubChem CID70585759
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name2-methyl-N-(3-phenylprop-2-enyl)prop-2-en-1-amine
SMILESC=C(C)CNCC=Cc1ccccc1
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
InChIKeyGTNCTEXFPIWTAW-UHFFFAOYSA-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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Related Compounds

2-methyl-N-[(E)-3-phenylprop-2-enyl]prop-2-en-1-amine
CID 88779532
2-[[(Z)-3-phenylprop-2-enyl]amino]acetic acid
CID 99726876
3-methyl-N-[(E)-3-phenylprop-2-enyl]but-2-en-1-amine
CID 103527857
1-(2-methylprop-2-enyl)-2-(3-phenylprop-2-enyl)guanidine
CID 111566861
N-[(E)-3-phenylprop-2-enyl]but-2-yn-1-amine
CID 112693036
2-methyl-3-(3-phenylprop-2-enylamino)propan-1-ol
CID 76950990
1-[2-(3-phenylprop-2-enylamino)ethylamino]propan-2-ol
CID 4720329
(Z)-3-phenyl-N-(2-phenylethyl)prop-2-en-1-amine
CID 93072278
3-[[(E)-3-phenylprop-2-enyl]amino]propanoic acid;hydrochloride
CID 163331518
2,2-difluoro-3-[[(E)-3-phenylprop-2-enyl]amino]propan-1-ol
CID 104857586
N-[(4-methylphenyl)methyl]-3-phenylprop-2-en-1-amine
CID 4723953
1-phenyl-2-[[(E)-3-phenylprop-2-enyl]amino]ethanol
CID 6198651

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-phenylprop-2-enyl)prop-2-en-1-amine?
The IUPAC name of 2-methyl-N-(3-phenylprop-2-enyl)prop-2-en-1-amine (CID 70585759) is 2-methyl-N-(3-phenylprop-2-enyl)prop-2-en-1-amine.
What is the SMILES notation for 2-methyl-N-(3-phenylprop-2-enyl)prop-2-en-1-amine?
The canonical SMILES for 2-methyl-N-(3-phenylprop-2-enyl)prop-2-en-1-amine is C=C(C)CNCC=Cc1ccccc1.
What is the InChIKey of 2-methyl-N-(3-phenylprop-2-enyl)prop-2-en-1-amine?
The InChIKey is GTNCTEXFPIWTAW-UHFFFAOYSA-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.
What are the key properties of 2-methyl-N-(3-phenylprop-2-enyl)prop-2-en-1-amine?
2-methyl-N-(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-(3-phenylprop-2-enyl)prop-2-en-1-amine is sourced from PubChem (CID 70585759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).