3-ethyl-N-(2-phenylprop-2-enyl)pentan-2-amine

C16H25N — CID 113288163

IUPAC3-ethyl-N-(2-phenylprop-2-enyl)pentan-2-amine
SMILESC=C(CNC(C)C(CC)CC)c1ccccc1
InChIInChI=1S/C16H25N/c1-5-15(6-2)14(4)17-12-13(3)16-10-8-7-9-11-16/h7-11,14-15,17H,3,5-6,12H2,1-2,4H3
InChIKeyXAALYDGEOSTTBK-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.11
Rot. Bonds7

About 3-ethyl-N-(2-phenylprop-2-enyl)pentan-2-amine

3-ethyl-N-(2-phenylprop-2-enyl)pentan-2-amine (PubChem CID 113288163) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 3-ethyl-N-(2-phenylprop-2-enyl)pentan-2-amine.

Molecular Properties

Compound Name3-ethyl-N-(2-phenylprop-2-enyl)pentan-2-amine
PubChem CID113288163
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name3-ethyl-N-(2-phenylprop-2-enyl)pentan-2-amine
SMILESC=C(CNC(C)C(CC)CC)c1ccccc1
InChIInChI=1S/C16H25N/c1-5-15(6-2)14(4)17-12-13(3)16-10-8-7-9-11-16/h7-11,14-15,17H,3,5-6,12H2,1-2,4H3
InChIKeyXAALYDGEOSTTBK-UHFFFAOYSA-N
XLogP4.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-phenylprop-2-enyl)butan-2-amine
CID 81332865
methyl 2-(2-phenylprop-2-enylamino)propanoate
CID 115328198
3-ethyl-1-(2-phenylprop-2-enylamino)pentan-2-ol
CID 106285486
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
N-butan-2-yl-3-phenylbut-3-en-1-amine
CID 70499013
1-N,1-N,3-trimethyl-2-N-(2-phenylprop-2-enyl)butane-1,2-diamine
CID 113288131
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-[(3-ethylpentan-2-ylamino)methyl]prop-2-enoic acid
CID 103250756
3-methyl-N-(2-phenylprop-2-enyl)butan-1-amine
CID 90318133
2-phenyl-N-prop-1-en-2-ylprop-2-en-1-amine
CID 134356693

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(2-phenylprop-2-enyl)pentan-2-amine?
The IUPAC name of 3-ethyl-N-(2-phenylprop-2-enyl)pentan-2-amine (CID 113288163) is 3-ethyl-N-(2-phenylprop-2-enyl)pentan-2-amine.
What is the SMILES notation for 3-ethyl-N-(2-phenylprop-2-enyl)pentan-2-amine?
The canonical SMILES for 3-ethyl-N-(2-phenylprop-2-enyl)pentan-2-amine is C=C(CNC(C)C(CC)CC)c1ccccc1.
What is the InChIKey of 3-ethyl-N-(2-phenylprop-2-enyl)pentan-2-amine?
The InChIKey is XAALYDGEOSTTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-5-15(6-2)14(4)17-12-13(3)16-10-8-7-9-11-16/h7-11,14-15,17H,3,5-6,12H2,1-2,4H3.
What are the key properties of 3-ethyl-N-(2-phenylprop-2-enyl)pentan-2-amine?
3-ethyl-N-(2-phenylprop-2-enyl)pentan-2-amine has a molecular weight of 231.38 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(2-phenylprop-2-enyl)pentan-2-amine is sourced from PubChem (CID 113288163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).