(E)-2-cyclohexyl-N-ethyl-3-(2-methylpyrimidin-4-yl)prop-2-en-1-amine

C16H25N3 — CID 115530312

IUPAC(E)-2-cyclohexyl-N-ethyl-3-(2-methylpyrimidin-4-yl)prop-2-en-1-amine
SMILESCCNC/C(=C/c1ccnc(C)n1)C1CCCCC1
InChIInChI=1S/C16H25N3/c1-3-17-12-15(14-7-5-4-6-8-14)11-16-9-10-18-13(2)19-16/h9-11,14,17H,3-8,12H2,1-2H3/b15-11-
InChIKeyWZDLFNBMVADGGO-PTNGSMBKSA-N
MW259.40 g/mol
LogP3.36
Rot. Bonds5

About (E)-2-cyclohexyl-N-ethyl-3-(2-methylpyrimidin-4-yl)prop-2-en-1-amine

(E)-2-cyclohexyl-N-ethyl-3-(2-methylpyrimidin-4-yl)prop-2-en-1-amine (PubChem CID 115530312) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is (E)-2-cyclohexyl-N-ethyl-3-(2-methylpyrimidin-4-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-2-cyclohexyl-N-ethyl-3-(2-methylpyrimidin-4-yl)prop-2-en-1-amine
PubChem CID115530312
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name(E)-2-cyclohexyl-N-ethyl-3-(2-methylpyrimidin-4-yl)prop-2-en-1-amine
SMILESCCNC/C(=C/c1ccnc(C)n1)C1CCCCC1
InChIInChI=1S/C16H25N3/c1-3-17-12-15(14-7-5-4-6-8-14)11-16-9-10-18-13(2)19-16/h9-11,14,17H,3-8,12H2,1-2H3/b15-11-
InChIKeyWZDLFNBMVADGGO-PTNGSMBKSA-N
XLogP3.36
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (E)-2-cyclohexyl-N-ethyl-3-(2-methylpyrimidin-4-yl)prop-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyclohexyl-N-ethyl-3-(2-methylpyrimidin-4-yl)prop-2-en-1-amine?
The IUPAC name of (E)-2-cyclohexyl-N-ethyl-3-(2-methylpyrimidin-4-yl)prop-2-en-1-amine (CID 115530312) is (E)-2-cyclohexyl-N-ethyl-3-(2-methylpyrimidin-4-yl)prop-2-en-1-amine.
What is the SMILES notation for (E)-2-cyclohexyl-N-ethyl-3-(2-methylpyrimidin-4-yl)prop-2-en-1-amine?
The canonical SMILES for (E)-2-cyclohexyl-N-ethyl-3-(2-methylpyrimidin-4-yl)prop-2-en-1-amine is CCNC/C(=C/c1ccnc(C)n1)C1CCCCC1.
What is the InChIKey of (E)-2-cyclohexyl-N-ethyl-3-(2-methylpyrimidin-4-yl)prop-2-en-1-amine?
The InChIKey is WZDLFNBMVADGGO-PTNGSMBKSA-N. The full InChI is InChI=1S/C16H25N3/c1-3-17-12-15(14-7-5-4-6-8-14)11-16-9-10-18-13(2)19-16/h9-11,14,17H,3-8,12H2,1-2H3/b15-11-.
What are the key properties of (E)-2-cyclohexyl-N-ethyl-3-(2-methylpyrimidin-4-yl)prop-2-en-1-amine?
(E)-2-cyclohexyl-N-ethyl-3-(2-methylpyrimidin-4-yl)prop-2-en-1-amine has a molecular weight of 259.40 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyclohexyl-N-ethyl-3-(2-methylpyrimidin-4-yl)prop-2-en-1-amine is sourced from PubChem (CID 115530312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).