(E)-N-(1-cyclopropylethyl)-2-methyl-3-phenylprop-2-en-1-amine

C15H21N — CID 115605460

IUPAC(E)-N-(1-cyclopropylethyl)-2-methyl-3-phenylprop-2-en-1-amine
SMILESC/C(=C\c1ccccc1)CNC(C)C1CC1
InChIInChI=1S/C15H21N/c1-12(10-14-6-4-3-5-7-14)11-16-13(2)15-8-9-15/h3-7,10,13,15-16H,8-9,11H2,1-2H3/b12-10+
InChIKeyWALPSOCUPKYABP-ZRDIBKRKSA-N
MW215.34 g/mol
LogP3.48
Rot. Bonds5

About (E)-N-(1-cyclopropylethyl)-2-methyl-3-phenylprop-2-en-1-amine

(E)-N-(1-cyclopropylethyl)-2-methyl-3-phenylprop-2-en-1-amine (PubChem CID 115605460) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is (E)-N-(1-cyclopropylethyl)-2-methyl-3-phenylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-(1-cyclopropylethyl)-2-methyl-3-phenylprop-2-en-1-amine
PubChem CID115605460
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name(E)-N-(1-cyclopropylethyl)-2-methyl-3-phenylprop-2-en-1-amine
SMILESC/C(=C\c1ccccc1)CNC(C)C1CC1
InChIInChI=1S/C15H21N/c1-12(10-14-6-4-3-5-7-14)11-16-13(2)15-8-9-15/h3-7,10,13,15-16H,8-9,11H2,1-2H3/b12-10+
InChIKeyWALPSOCUPKYABP-ZRDIBKRKSA-N
XLogP3.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-butan-2-yl-2-methyl-3-phenylprop-2-en-1-amine
CID 75598908
N-[(E)-2-methyl-3-phenylprop-2-enyl]pent-4-en-2-amine
CID 115633162
N-[(E)-2-methyl-3-phenylprop-2-enyl]-1-propan-2-ylpiperidin-4-amine
CID 119107841
2-methyl-N-(1-naphthalen-1-ylethyl)-3-phenylprop-2-en-1-amine
CID 57178227
N-(1-cyclohexylethyl)-2-phenylprop-2-en-1-amine
CID 113288150
3-methyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]butan-1-amine;hydrochloride
CID 115605434
N-tert-butyl-2-methyl-3-phenylprop-2-en-1-amine
CID 72556558
(E)-2-methyl-3-phenyl-N-(3-propan-2-yloxypropyl)prop-2-en-1-amine
CID 119107756
(E)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methyl-3-phenylprop-2-en-1-amine
CID 66895858
1-cyclopropyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-4-amine
CID 56823400
1-cyclopropyl-N-(2-phenylethyl)ethanamine
CID 43178582
(E)-2-methyl-N-[(2-methylcyclopropyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride
CID 115605478

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-cyclopropylethyl)-2-methyl-3-phenylprop-2-en-1-amine?
The IUPAC name of (E)-N-(1-cyclopropylethyl)-2-methyl-3-phenylprop-2-en-1-amine (CID 115605460) is (E)-N-(1-cyclopropylethyl)-2-methyl-3-phenylprop-2-en-1-amine.
What is the SMILES notation for (E)-N-(1-cyclopropylethyl)-2-methyl-3-phenylprop-2-en-1-amine?
The canonical SMILES for (E)-N-(1-cyclopropylethyl)-2-methyl-3-phenylprop-2-en-1-amine is C/C(=C\c1ccccc1)CNC(C)C1CC1.
What is the InChIKey of (E)-N-(1-cyclopropylethyl)-2-methyl-3-phenylprop-2-en-1-amine?
The InChIKey is WALPSOCUPKYABP-ZRDIBKRKSA-N. The full InChI is InChI=1S/C15H21N/c1-12(10-14-6-4-3-5-7-14)11-16-13(2)15-8-9-15/h3-7,10,13,15-16H,8-9,11H2,1-2H3/b12-10+.
What are the key properties of (E)-N-(1-cyclopropylethyl)-2-methyl-3-phenylprop-2-en-1-amine?
(E)-N-(1-cyclopropylethyl)-2-methyl-3-phenylprop-2-en-1-amine has a molecular weight of 215.34 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-cyclopropylethyl)-2-methyl-3-phenylprop-2-en-1-amine is sourced from PubChem (CID 115605460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).