N-(2-phenylprop-2-enyl)butan-2-amine

C13H19N — CID 81332865

IUPACN-(2-phenylprop-2-enyl)butan-2-amine
SMILESC=C(CNC(C)CC)c1ccccc1
InChIInChI=1S/C13H19N/c1-4-12(3)14-10-11(2)13-8-6-5-7-9-13/h5-9,12,14H,2,4,10H2,1,3H3
InChIKeyADXYDWNNKSYBRJ-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.09
Rot. Bonds5

About N-(2-phenylprop-2-enyl)butan-2-amine

N-(2-phenylprop-2-enyl)butan-2-amine (PubChem CID 81332865) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is N-(2-phenylprop-2-enyl)butan-2-amine.

Molecular Properties

Compound NameN-(2-phenylprop-2-enyl)butan-2-amine
PubChem CID81332865
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC NameN-(2-phenylprop-2-enyl)butan-2-amine
SMILESC=C(CNC(C)CC)c1ccccc1
InChIInChI=1S/C13H19N/c1-4-12(3)14-10-11(2)13-8-6-5-7-9-13/h5-9,12,14H,2,4,10H2,1,3H3
InChIKeyADXYDWNNKSYBRJ-UHFFFAOYSA-N
XLogP3.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-N-(2-phenylprop-2-enyl)pentan-2-amine
CID 113288163
N-butan-2-yl-3-phenylbut-3-en-1-amine
CID 70499013
methyl 2-(2-phenylprop-2-enylamino)propanoate
CID 115328198
N-butan-2-yl-2-methyl-3-phenylprop-2-en-1-amine
CID 75598908
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-phenylprop-2-en-1-amine
CID 115328414
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-phenylprop-2-en-1-amine
CID 115328410
2-phenyl-N-prop-1-en-2-ylprop-2-en-1-amine
CID 134356693
1-N,1-N,3-trimethyl-2-N-(2-phenylprop-2-enyl)butane-1,2-diamine
CID 113288131
2-methyl-N-(2-phenylprop-2-enyl)prop-2-en-1-amine
CID 114616833
2-phenyl-N-(1-pyridin-2-ylethyl)prop-2-en-1-amine
CID 113288104
N-(1-cyclohexylethyl)-2-phenylprop-2-en-1-amine
CID 113288150
2-(butan-2-ylamino)-N-[(1S)-1-phenylethyl]acetamide
CID 63867528

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylprop-2-enyl)butan-2-amine?
The IUPAC name of N-(2-phenylprop-2-enyl)butan-2-amine (CID 81332865) is N-(2-phenylprop-2-enyl)butan-2-amine.
What is the SMILES notation for N-(2-phenylprop-2-enyl)butan-2-amine?
The canonical SMILES for N-(2-phenylprop-2-enyl)butan-2-amine is C=C(CNC(C)CC)c1ccccc1.
What is the InChIKey of N-(2-phenylprop-2-enyl)butan-2-amine?
The InChIKey is ADXYDWNNKSYBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-4-12(3)14-10-11(2)13-8-6-5-7-9-13/h5-9,12,14H,2,4,10H2,1,3H3.
What are the key properties of N-(2-phenylprop-2-enyl)butan-2-amine?
N-(2-phenylprop-2-enyl)butan-2-amine has a molecular weight of 189.30 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylprop-2-enyl)butan-2-amine is sourced from PubChem (CID 81332865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).