(Z)-3-(4-methoxyphenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine

C17H20N2O — CID 12717118

IUPAC(Z)-3-(4-methoxyphenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine
SMILESCOc1ccc(/C(=C/CN(C)C)c2cccnc2)cc1
InChIInChI=1S/C17H20N2O/c1-19(2)12-10-17(15-5-4-11-18-13-15)14-6-8-16(20-3)9-7-14/h4-11,13H,12H2,1-3H3/b17-10-
InChIKeyJGLGPHHMDTVQBI-YVLHZVERSA-N
MW268.36 g/mol
LogP3.08
Rot. Bonds5

About (Z)-3-(4-methoxyphenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine

(Z)-3-(4-methoxyphenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine (PubChem CID 12717118) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is (Z)-3-(4-methoxyphenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3-(4-methoxyphenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine
PubChem CID12717118
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name(Z)-3-(4-methoxyphenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine
SMILESCOc1ccc(/C(=C/CN(C)C)c2cccnc2)cc1
InChIInChI=1S/C17H20N2O/c1-19(2)12-10-17(15-5-4-11-18-13-15)14-6-8-16(20-3)9-7-14/h4-11,13H,12H2,1-3H3/b17-10-
InChIKeyJGLGPHHMDTVQBI-YVLHZVERSA-N
XLogP3.08
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-methoxyphenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine?
The IUPAC name of (Z)-3-(4-methoxyphenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine (CID 12717118) is (Z)-3-(4-methoxyphenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine.
What is the SMILES notation for (Z)-3-(4-methoxyphenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine?
The canonical SMILES for (Z)-3-(4-methoxyphenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine is COc1ccc(/C(=C/CN(C)C)c2cccnc2)cc1.
What is the InChIKey of (Z)-3-(4-methoxyphenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine?
The InChIKey is JGLGPHHMDTVQBI-YVLHZVERSA-N. The full InChI is InChI=1S/C17H20N2O/c1-19(2)12-10-17(15-5-4-11-18-13-15)14-6-8-16(20-3)9-7-14/h4-11,13H,12H2,1-3H3/b17-10-.
What are the key properties of (Z)-3-(4-methoxyphenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine?
(Z)-3-(4-methoxyphenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine has a molecular weight of 268.36 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-methoxyphenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine is sourced from PubChem (CID 12717118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).