1-cyclohexyl-1-methoxy-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine

C17H31N3O — CID 116771844

IUPAC1-cyclohexyl-1-methoxy-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1cnn(C)c1)C(OC)C1CCCCC1
InChIInChI=1S/C17H31N3O/c1-4-10-18-16(11-14-12-19-20(2)13-14)17(21-3)15-8-6-5-7-9-15/h12-13,15-18H,4-11H2,1-3H3
InChIKeyRGTRPQGEBBEQOY-UHFFFAOYSA-N
MW293.45 g/mol
LogP2.93
Rot. Bonds8

About 1-cyclohexyl-1-methoxy-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine

1-cyclohexyl-1-methoxy-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine (PubChem CID 116771844) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-cyclohexyl-1-methoxy-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-1-methoxy-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine
PubChem CID116771844
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name1-cyclohexyl-1-methoxy-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1cnn(C)c1)C(OC)C1CCCCC1
InChIInChI=1S/C17H31N3O/c1-4-10-18-16(11-14-12-19-20(2)13-14)17(21-3)15-8-6-5-7-9-15/h12-13,15-18H,4-11H2,1-3H3
InChIKeyRGTRPQGEBBEQOY-UHFFFAOYSA-N
XLogP2.93
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-cyclohexyl-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 62126447
1-cyclopropyl-1-methoxy-N-methyl-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 116722205
1-cyclohexyl-3-(furan-2-yl)-1-methoxy-N-propylpropan-2-amine
CID 116771852
1,1-diethoxy-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine
CID 79495508
3-ethoxy-1-(1-methylpyrazol-4-yl)-N-propylpentan-2-amine
CID 116717153
1-cyclopropyl-3-(3,5-difluorophenyl)-1-methoxy-N-propylpropan-2-amine
CID 105407026
1-cyclooctyl-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 80602955
3-cyclopropyl-1-(1-ethylpyrazol-4-yl)-N-propylbutan-2-amine
CID 115822934
N-[1-(1-methoxycycloheptyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 116770459
1-cycloheptyl-2-(1-methylpyrazol-4-yl)ethanol
CID 65398921
1-cyclohexyl-1-ethoxy-3-phenyl-N-propylpropan-2-amine
CID 116772454
1-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)-1-methoxy-N-propylpropan-2-amine
CID 116722727

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-methoxy-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine?
The IUPAC name of 1-cyclohexyl-1-methoxy-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine (CID 116771844) is 1-cyclohexyl-1-methoxy-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-cyclohexyl-1-methoxy-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine?
The canonical SMILES for 1-cyclohexyl-1-methoxy-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine is CCCNC(Cc1cnn(C)c1)C(OC)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-methoxy-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine?
The InChIKey is RGTRPQGEBBEQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-4-10-18-16(11-14-12-19-20(2)13-14)17(21-3)15-8-6-5-7-9-15/h12-13,15-18H,4-11H2,1-3H3.
What are the key properties of 1-cyclohexyl-1-methoxy-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine?
1-cyclohexyl-1-methoxy-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine has a molecular weight of 293.45 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-methoxy-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine is sourced from PubChem (CID 116771844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).