(Z)-1-(2-butylphenyl)-N-methylprop-1-en-1-amine

C14H21N — CID 167258791

IUPAC(Z)-1-(2-butylphenyl)-N-methylprop-1-en-1-amine
SMILESC/C=C(\NC)c1ccccc1CCCC
InChIInChI=1S/C14H21N/c1-4-6-9-12-10-7-8-11-13(12)14(5-2)15-3/h5,7-8,10-11,15H,4,6,9H2,1-3H3/b14-5-
InChIKeyPLRBYXSJSRPKPI-RZNTYIFUSA-N
MW203.33 g/mol
LogP3.61
Rot. Bonds5

About (Z)-1-(2-butylphenyl)-N-methylprop-1-en-1-amine

(Z)-1-(2-butylphenyl)-N-methylprop-1-en-1-amine (PubChem CID 167258791) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is (Z)-1-(2-butylphenyl)-N-methylprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-1-(2-butylphenyl)-N-methylprop-1-en-1-amine
PubChem CID167258791
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name(Z)-1-(2-butylphenyl)-N-methylprop-1-en-1-amine
SMILESC/C=C(\NC)c1ccccc1CCCC
InChIInChI=1S/C14H21N/c1-4-6-9-12-10-7-8-11-13(12)14(5-2)15-3/h5,7-8,10-11,15H,4,6,9H2,1-3H3/b14-5-
InChIKeyPLRBYXSJSRPKPI-RZNTYIFUSA-N
XLogP3.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(2-butylphenyl)-N-methylprop-1-en-1-amine?
The IUPAC name of (Z)-1-(2-butylphenyl)-N-methylprop-1-en-1-amine (CID 167258791) is (Z)-1-(2-butylphenyl)-N-methylprop-1-en-1-amine.
What is the SMILES notation for (Z)-1-(2-butylphenyl)-N-methylprop-1-en-1-amine?
The canonical SMILES for (Z)-1-(2-butylphenyl)-N-methylprop-1-en-1-amine is C/C=C(\NC)c1ccccc1CCCC.
What is the InChIKey of (Z)-1-(2-butylphenyl)-N-methylprop-1-en-1-amine?
The InChIKey is PLRBYXSJSRPKPI-RZNTYIFUSA-N. The full InChI is InChI=1S/C14H21N/c1-4-6-9-12-10-7-8-11-13(12)14(5-2)15-3/h5,7-8,10-11,15H,4,6,9H2,1-3H3/b14-5-.
What are the key properties of (Z)-1-(2-butylphenyl)-N-methylprop-1-en-1-amine?
(Z)-1-(2-butylphenyl)-N-methylprop-1-en-1-amine has a molecular weight of 203.33 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2-butylphenyl)-N-methylprop-1-en-1-amine is sourced from PubChem (CID 167258791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).