1-(1-methoxy-3-methylcyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-amine

C15H27N3O — CID 103012543

IUPAC1-(1-methoxy-3-methylcyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
SMILESCOC1(C(N)CCc2ccnn2C)CCCC(C)C1
InChIInChI=1S/C15H27N3O/c1-12-5-4-9-15(11-12,19-3)14(16)7-6-13-8-10-17-18(13)2/h8,10,12,14H,4-7,9,11,16H2,1-3H3
InChIKeyJLVCIXIYFXANQU-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.28
Rot. Bonds5

About 1-(1-methoxy-3-methylcyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-amine

1-(1-methoxy-3-methylcyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-amine (PubChem CID 103012543) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(1-methoxy-3-methylcyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name1-(1-methoxy-3-methylcyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
PubChem CID103012543
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name1-(1-methoxy-3-methylcyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
SMILESCOC1(C(N)CCc2ccnn2C)CCCC(C)C1
InChIInChI=1S/C15H27N3O/c1-12-5-4-9-15(11-12,19-3)14(16)7-6-13-8-10-17-18(13)2/h8,10,12,14H,4-7,9,11,16H2,1-3H3
InChIKeyJLVCIXIYFXANQU-UHFFFAOYSA-N
XLogP2.28
TPSA53.07 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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(1-ethoxy-3-methylcyclohexyl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine
CID 103027135
[1-(1-methoxycyclopentyl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine
CID 103027056
1-(1-methoxy-3-methylcyclohexyl)-2-pyridin-4-ylethanamine
CID 116767493
3-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol
CID 103005702
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine
CID 116767607
2-(5-bromo-2-pyridinyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine
CID 116767724
3-(2-methylpyrazol-3-yl)-1-(1-piperidin-1-ylcyclopentyl)propan-1-amine
CID 103011146
2-(3,5-dimethylphenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine
CID 116767540
1-(1-methoxy-3-methylcyclohexyl)hex-5-yn-1-amine
CID 116767594
(1-ethoxy-3-methylcyclohexyl)-(2-methylpyrazol-3-yl)methanol
CID 116755312
1-(1-methoxy-3-methylcyclohexyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
CID 116754998
[1-(1-methoxy-3-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)propyl]hydrazine
CID 103027134

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxy-3-methylcyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
The IUPAC name of 1-(1-methoxy-3-methylcyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-amine (CID 103012543) is 1-(1-methoxy-3-methylcyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-amine.
What is the SMILES notation for 1-(1-methoxy-3-methylcyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
The canonical SMILES for 1-(1-methoxy-3-methylcyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-amine is COC1(C(N)CCc2ccnn2C)CCCC(C)C1.
What is the InChIKey of 1-(1-methoxy-3-methylcyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
The InChIKey is JLVCIXIYFXANQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-12-5-4-9-15(11-12,19-3)14(16)7-6-13-8-10-17-18(13)2/h8,10,12,14H,4-7,9,11,16H2,1-3H3.
What are the key properties of 1-(1-methoxy-3-methylcyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
1-(1-methoxy-3-methylcyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 2.28, 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)-3-(2-methylpyrazol-3-yl)propan-1-amine is sourced from PubChem (CID 103012543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).