2-methoxy-N-[[2-(4-propylcyclohexyl)pyrimidin-4-yl]methyl]ethanamine

C17H29N3O — CID 65403205

IUPAC2-methoxy-N-[[2-(4-propylcyclohexyl)pyrimidin-4-yl]methyl]ethanamine
SMILESCCCC1CCC(c2nccc(CNCCOC)n2)CC1
InChIInChI=1S/C17H29N3O/c1-3-4-14-5-7-15(8-6-14)17-19-10-9-16(20-17)13-18-11-12-21-2/h9-10,14-15,18H,3-8,11-13H2,1-2H3
InChIKeyZILYHNHRVVCOBD-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.29
Rot. Bonds8

About 2-methoxy-N-[[2-(4-propylcyclohexyl)pyrimidin-4-yl]methyl]ethanamine

2-methoxy-N-[[2-(4-propylcyclohexyl)pyrimidin-4-yl]methyl]ethanamine (PubChem CID 65403205) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-methoxy-N-[[2-(4-propylcyclohexyl)pyrimidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[2-(4-propylcyclohexyl)pyrimidin-4-yl]methyl]ethanamine
PubChem CID65403205
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-methoxy-N-[[2-(4-propylcyclohexyl)pyrimidin-4-yl]methyl]ethanamine
SMILESCCCC1CCC(c2nccc(CNCCOC)n2)CC1
InChIInChI=1S/C17H29N3O/c1-3-4-14-5-7-15(8-6-14)17-19-10-9-16(20-17)13-18-11-12-21-2/h9-10,14-15,18H,3-8,11-13H2,1-2H3
InChIKeyZILYHNHRVVCOBD-UHFFFAOYSA-N
XLogP3.29
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-methoxy-N-[[2-(4-propylcyclohexyl)pyrimidin-4-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[2-(4-propylcyclohexyl)pyrimidin-4-yl]methyl]ethanamine (CID 65403205) is 2-methoxy-N-[[2-(4-propylcyclohexyl)pyrimidin-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[2-(4-propylcyclohexyl)pyrimidin-4-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[2-(4-propylcyclohexyl)pyrimidin-4-yl]methyl]ethanamine is CCCC1CCC(c2nccc(CNCCOC)n2)CC1.
What is the InChIKey of 2-methoxy-N-[[2-(4-propylcyclohexyl)pyrimidin-4-yl]methyl]ethanamine?
The InChIKey is ZILYHNHRVVCOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-3-4-14-5-7-15(8-6-14)17-19-10-9-16(20-17)13-18-11-12-21-2/h9-10,14-15,18H,3-8,11-13H2,1-2H3.
What are the key properties of 2-methoxy-N-[[2-(4-propylcyclohexyl)pyrimidin-4-yl]methyl]ethanamine?
2-methoxy-N-[[2-(4-propylcyclohexyl)pyrimidin-4-yl]methyl]ethanamine has a molecular weight of 291.44 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[2-(4-propylcyclohexyl)pyrimidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 65403205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).