1-(1-ethoxy-4-methylcyclohexyl)-N-methyl-1-pyrimidin-5-ylmethanamine

C15H25N3O — CID 116767095

IUPAC1-(1-ethoxy-4-methylcyclohexyl)-N-methyl-1-pyrimidin-5-ylmethanamine
SMILESCCOC1(C(NC)c2cncnc2)CCC(C)CC1
InChIInChI=1S/C15H25N3O/c1-4-19-15(7-5-12(2)6-8-15)14(16-3)13-9-17-11-18-10-13/h9-12,14,16H,4-8H2,1-3H3
InChIKeyPGKWQXBGVNXDAX-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.72
Rot. Bonds5

About 1-(1-ethoxy-4-methylcyclohexyl)-N-methyl-1-pyrimidin-5-ylmethanamine

1-(1-ethoxy-4-methylcyclohexyl)-N-methyl-1-pyrimidin-5-ylmethanamine (PubChem CID 116767095) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(1-ethoxy-4-methylcyclohexyl)-N-methyl-1-pyrimidin-5-ylmethanamine.

Molecular Properties

Compound Name1-(1-ethoxy-4-methylcyclohexyl)-N-methyl-1-pyrimidin-5-ylmethanamine
PubChem CID116767095
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-(1-ethoxy-4-methylcyclohexyl)-N-methyl-1-pyrimidin-5-ylmethanamine
SMILESCCOC1(C(NC)c2cncnc2)CCC(C)CC1
InChIInChI=1S/C15H25N3O/c1-4-19-15(7-5-12(2)6-8-15)14(16-3)13-9-17-11-18-10-13/h9-12,14,16H,4-8H2,1-3H3
InChIKeyPGKWQXBGVNXDAX-UHFFFAOYSA-N
XLogP2.72
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethoxy-4-methylcyclohexyl)-pyrimidin-5-ylmethyl]ethanamine
CID 116767269
1-(4-chlorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)-N-methylmethanamine
CID 116767179
1-(cyclohexen-1-yl)-1-(1-ethoxy-4-methylcyclohexyl)-N-methylmethanamine
CID 106654643
1-(1-methoxy-4-methylcyclohexyl)-N-methyl-1-pyridin-3-ylmethanamine
CID 116766472
1-(1-ethoxy-4-methylcyclohexyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 116767194
[(1-ethoxy-4-methylcyclohexyl)-(4-methylphenyl)methyl]hydrazine
CID 105277256
1-(1-ethoxycycloheptyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 116770894
(1-methoxy-4-methylcyclohexyl)-pyrimidin-5-ylmethanamine
CID 116766074
1-(1-ethoxy-4-methylcyclohexyl)-N,2-dimethylbutan-1-amine
CID 116767228
2-(3-chloro-4-pyridinyl)-1-(1-ethoxy-4-methylcyclohexyl)-N-methylethanamine
CID 116767226
1-(1-methoxy-4-methylcyclohexyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 116766518
N-[(1-ethoxy-4-methylcyclohexyl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 114689332

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxy-4-methylcyclohexyl)-N-methyl-1-pyrimidin-5-ylmethanamine?
The IUPAC name of 1-(1-ethoxy-4-methylcyclohexyl)-N-methyl-1-pyrimidin-5-ylmethanamine (CID 116767095) is 1-(1-ethoxy-4-methylcyclohexyl)-N-methyl-1-pyrimidin-5-ylmethanamine.
What is the SMILES notation for 1-(1-ethoxy-4-methylcyclohexyl)-N-methyl-1-pyrimidin-5-ylmethanamine?
The canonical SMILES for 1-(1-ethoxy-4-methylcyclohexyl)-N-methyl-1-pyrimidin-5-ylmethanamine is CCOC1(C(NC)c2cncnc2)CCC(C)CC1.
What is the InChIKey of 1-(1-ethoxy-4-methylcyclohexyl)-N-methyl-1-pyrimidin-5-ylmethanamine?
The InChIKey is PGKWQXBGVNXDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-19-15(7-5-12(2)6-8-15)14(16-3)13-9-17-11-18-10-13/h9-12,14,16H,4-8H2,1-3H3.
What are the key properties of 1-(1-ethoxy-4-methylcyclohexyl)-N-methyl-1-pyrimidin-5-ylmethanamine?
1-(1-ethoxy-4-methylcyclohexyl)-N-methyl-1-pyrimidin-5-ylmethanamine has a molecular weight of 263.38 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxy-4-methylcyclohexyl)-N-methyl-1-pyrimidin-5-ylmethanamine is sourced from PubChem (CID 116767095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).