3-methoxy-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclohexan-1-amine

C13H23N3O — CID 114078092

IUPAC3-methoxy-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclohexan-1-amine
SMILESCOC1CCCC(NCCn2cc(C)cn2)C1
InChIInChI=1S/C13H23N3O/c1-11-9-15-16(10-11)7-6-14-12-4-3-5-13(8-12)17-2/h9-10,12-14H,3-8H2,1-2H3
InChIKeyJMMXXPBKMGXGQV-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.74
Rot. Bonds5

About 3-methoxy-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclohexan-1-amine

3-methoxy-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclohexan-1-amine (PubChem CID 114078092) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-methoxy-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclohexan-1-amine
PubChem CID114078092
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-methoxy-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclohexan-1-amine
SMILESCOC1CCCC(NCCn2cc(C)cn2)C1
InChIInChI=1S/C13H23N3O/c1-11-9-15-16(10-11)7-6-14-12-4-3-5-13(8-12)17-2/h9-10,12-14H,3-8H2,1-2H3
InChIKeyJMMXXPBKMGXGQV-UHFFFAOYSA-N
XLogP1.74
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 3-methoxy-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclohexan-1-amine (CID 114078092) is 3-methoxy-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 3-methoxy-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 3-methoxy-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclohexan-1-amine is COC1CCCC(NCCn2cc(C)cn2)C1.
What is the InChIKey of 3-methoxy-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclohexan-1-amine?
The InChIKey is JMMXXPBKMGXGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-11-9-15-16(10-11)7-6-14-12-4-3-5-13(8-12)17-2/h9-10,12-14H,3-8H2,1-2H3.
What are the key properties of 3-methoxy-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclohexan-1-amine?
3-methoxy-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclohexan-1-amine has a molecular weight of 237.35 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 114078092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).