1-(1-methoxy-3-methylcyclohexyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine

C15H27N3O — CID 116767770

IUPAC1-(1-methoxy-3-methylcyclohexyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
SMILESCNC(Cc1ccn(C)n1)C1(OC)CCCC(C)C1
InChIInChI=1S/C15H27N3O/c1-12-6-5-8-15(11-12,19-4)14(16-2)10-13-7-9-18(3)17-13/h7,9,12,14,16H,5-6,8,10-11H2,1-4H3
InChIKeyPDFGQERQPMOGSE-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.15
Rot. Bonds5

About 1-(1-methoxy-3-methylcyclohexyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine

1-(1-methoxy-3-methylcyclohexyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine (PubChem CID 116767770) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(1-methoxy-3-methylcyclohexyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(1-methoxy-3-methylcyclohexyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
PubChem CID116767770
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name1-(1-methoxy-3-methylcyclohexyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
SMILESCNC(Cc1ccn(C)n1)C1(OC)CCCC(C)C1
InChIInChI=1S/C15H27N3O/c1-12-6-5-8-15(11-12,19-4)14(16-2)10-13-7-9-18(3)17-13/h7,9,12,14,16H,5-6,8,10-11H2,1-4H3
InChIKeyPDFGQERQPMOGSE-UHFFFAOYSA-N
XLogP2.15
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methoxy-3-methylcyclohexyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 116767803
[1-(1-methoxy-3-methylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105277428
2-(4-ethylphenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylethanamine
CID 116767869
N-ethyl-1-(1-methoxycyclohexyl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 116763128
1-(1-methoxy-3-methylcyclohexyl)-N-methylbut-3-yn-1-amine
CID 116767850
1-(1-methoxy-3-methylcyclohexyl)-N-methyl-3-phenylpropan-1-amine
CID 116767746
2-(3-fluorophenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylethanamine
CID 116767827
1-(1-methoxy-3-methylcyclohexyl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 116767948
1-(1-methoxycyclopentyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 104610403
N-methyl-2-(1-methylpyrazol-3-yl)-1-(1-phenylcyclobutyl)ethanamine
CID 82877218
2-cyclopropyl-1-(1-methoxy-3-methylcyclohexyl)-N-methylethanamine
CID 116767760
2-(4-bromo-2-fluorophenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylethanamine
CID 116767753

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxy-3-methylcyclohexyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine?
The IUPAC name of 1-(1-methoxy-3-methylcyclohexyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine (CID 116767770) is 1-(1-methoxy-3-methylcyclohexyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 1-(1-methoxy-3-methylcyclohexyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for 1-(1-methoxy-3-methylcyclohexyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine is CNC(Cc1ccn(C)n1)C1(OC)CCCC(C)C1.
What is the InChIKey of 1-(1-methoxy-3-methylcyclohexyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine?
The InChIKey is PDFGQERQPMOGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-12-6-5-8-15(11-12,19-4)14(16-2)10-13-7-9-18(3)17-13/h7,9,12,14,16H,5-6,8,10-11H2,1-4H3.
What are the key properties of 1-(1-methoxy-3-methylcyclohexyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine?
1-(1-methoxy-3-methylcyclohexyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine has a molecular weight of 265.40 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxy-3-methylcyclohexyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 116767770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).