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

C17H27N3 — CID 115530315

IUPAC(E)-2-cyclohexyl-3-(2-methylpyrimidin-4-yl)-N-propylprop-2-en-1-amine
SMILESCCCNC/C(=C/c1ccnc(C)n1)C1CCCCC1
InChIInChI=1S/C17H27N3/c1-3-10-18-13-16(15-7-5-4-6-8-15)12-17-9-11-19-14(2)20-17/h9,11-12,15,18H,3-8,10,13H2,1-2H3/b16-12-
InChIKeyYJPLLJXSPHOWTA-VBKFSLOCSA-N
MW273.42 g/mol
LogP3.75
Rot. Bonds6

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

(E)-2-cyclohexyl-3-(2-methylpyrimidin-4-yl)-N-propylprop-2-en-1-amine (PubChem CID 115530315) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is (E)-2-cyclohexyl-3-(2-methylpyrimidin-4-yl)-N-propylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-2-cyclohexyl-3-(2-methylpyrimidin-4-yl)-N-propylprop-2-en-1-amine
PubChem CID115530315
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name(E)-2-cyclohexyl-3-(2-methylpyrimidin-4-yl)-N-propylprop-2-en-1-amine
SMILESCCCNC/C(=C/c1ccnc(C)n1)C1CCCCC1
InChIInChI=1S/C17H27N3/c1-3-10-18-13-16(15-7-5-4-6-8-15)12-17-9-11-19-14(2)20-17/h9,11-12,15,18H,3-8,10,13H2,1-2H3/b16-12-
InChIKeyYJPLLJXSPHOWTA-VBKFSLOCSA-N
XLogP3.75
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-cyclohexyl-3-(2-methylpyrimidin-4-yl)-N-propylprop-2-en-1-amine?
The IUPAC name of (E)-2-cyclohexyl-3-(2-methylpyrimidin-4-yl)-N-propylprop-2-en-1-amine (CID 115530315) is (E)-2-cyclohexyl-3-(2-methylpyrimidin-4-yl)-N-propylprop-2-en-1-amine.
What is the SMILES notation for (E)-2-cyclohexyl-3-(2-methylpyrimidin-4-yl)-N-propylprop-2-en-1-amine?
The canonical SMILES for (E)-2-cyclohexyl-3-(2-methylpyrimidin-4-yl)-N-propylprop-2-en-1-amine is CCCNC/C(=C/c1ccnc(C)n1)C1CCCCC1.
What is the InChIKey of (E)-2-cyclohexyl-3-(2-methylpyrimidin-4-yl)-N-propylprop-2-en-1-amine?
The InChIKey is YJPLLJXSPHOWTA-VBKFSLOCSA-N. The full InChI is InChI=1S/C17H27N3/c1-3-10-18-13-16(15-7-5-4-6-8-15)12-17-9-11-19-14(2)20-17/h9,11-12,15,18H,3-8,10,13H2,1-2H3/b16-12-.
What are the key properties of (E)-2-cyclohexyl-3-(2-methylpyrimidin-4-yl)-N-propylprop-2-en-1-amine?
(E)-2-cyclohexyl-3-(2-methylpyrimidin-4-yl)-N-propylprop-2-en-1-amine has a molecular weight of 273.42 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyclohexyl-3-(2-methylpyrimidin-4-yl)-N-propylprop-2-en-1-amine is sourced from PubChem (CID 115530315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).