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

C13H17N — CID 114616833

IUPAC2-methyl-N-(2-phenylprop-2-enyl)prop-2-en-1-amine
SMILESC=C(C)CNCC(=C)c1ccccc1
InChIInChI=1S/C13H17N/c1-11(2)9-14-10-12(3)13-7-5-4-6-8-13/h4-8,14H,1,3,9-10H2,2H3
InChIKeyVUAOYZDNEDMMIA-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.87
Rot. Bonds5

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

2-methyl-N-(2-phenylprop-2-enyl)prop-2-en-1-amine (PubChem CID 114616833) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 2-methyl-N-(2-phenylprop-2-enyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2-phenylprop-2-enyl)prop-2-en-1-amine
PubChem CID114616833
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name2-methyl-N-(2-phenylprop-2-enyl)prop-2-en-1-amine
SMILESC=C(C)CNCC(=C)c1ccccc1
InChIInChI=1S/C13H17N/c1-11(2)9-14-10-12(3)13-7-5-4-6-8-13/h4-8,14H,1,3,9-10H2,2H3
InChIKeyVUAOYZDNEDMMIA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-N-prop-1-en-2-ylprop-2-en-1-amine
CID 134356693
3-methyl-N-(2-phenylprop-2-enyl)butan-1-amine
CID 90318133
N-(cyclopropylmethyl)-2-phenylprop-2-en-1-amine
CID 78921499
N-(2-phenylprop-2-enyl)butan-2-amine
CID 81332865
N-[2-(4-methoxyphenyl)ethyl]-2-phenylprop-2-en-1-amine
CID 115328049
3-ethyl-1-(2-phenylprop-2-enylamino)pentan-2-ol
CID 106285486
3-phenyl-N-(2-phenylprop-2-enyl)butan-1-amine
CID 115328287
N',N'-dimethyl-N-(2-phenylprop-2-enyl)butane-1,4-diamine
CID 113288145
N,N-dimethyl-3-(2-phenylprop-2-enylamino)propanamide
CID 113288141
6-(2-phenylprop-2-enylamino)hexan-1-ol
CID 107851678
7-methyl-N-(2-phenylprop-2-enyl)octan-1-amine
CID 107814964
N-[[2-(methoxymethyl)phenyl]methyl]-2-phenylprop-2-en-1-amine
CID 115328156

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-phenylprop-2-enyl)prop-2-en-1-amine?
The IUPAC name of 2-methyl-N-(2-phenylprop-2-enyl)prop-2-en-1-amine (CID 114616833) is 2-methyl-N-(2-phenylprop-2-enyl)prop-2-en-1-amine.
What is the SMILES notation for 2-methyl-N-(2-phenylprop-2-enyl)prop-2-en-1-amine?
The canonical SMILES for 2-methyl-N-(2-phenylprop-2-enyl)prop-2-en-1-amine is C=C(C)CNCC(=C)c1ccccc1.
What is the InChIKey of 2-methyl-N-(2-phenylprop-2-enyl)prop-2-en-1-amine?
The InChIKey is VUAOYZDNEDMMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-11(2)9-14-10-12(3)13-7-5-4-6-8-13/h4-8,14H,1,3,9-10H2,2H3.
What are the key properties of 2-methyl-N-(2-phenylprop-2-enyl)prop-2-en-1-amine?
2-methyl-N-(2-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-(2-phenylprop-2-enyl)prop-2-en-1-amine is sourced from PubChem (CID 114616833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).