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

C14H25N3 — CID 113442329

IUPAC2-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
SMILESCCC1CCCCC1NCCc1ccnn1C
InChIInChI=1S/C14H25N3/c1-3-12-6-4-5-7-14(12)15-10-8-13-9-11-16-17(13)2/h9,11-12,14-15H,3-8,10H2,1-2H3
InChIKeyXUVSTURVONUSJR-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.52
Rot. Bonds5

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

2-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine (PubChem CID 113442329) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
PubChem CID113442329
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name2-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
SMILESCCC1CCCCC1NCCc1ccnn1C
InChIInChI=1S/C14H25N3/c1-3-12-6-4-5-7-14(12)15-10-8-13-9-11-16-17(13)2/h9,11-12,14-15H,3-8,10H2,1-2H3
InChIKeyXUVSTURVONUSJR-UHFFFAOYSA-N
XLogP2.52
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-2-[2-(2-methylpyrazol-3-yl)ethylamino]cyclohexan-1-ol
CID 103005731
2-tert-butyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
CID 104694927
trans-(1R,2R)-2-[2-(2-methylpyrazol-3-yl)ethylamino]cyclopentan-1-ol
CID 103006299
N-[2-(2-methylpyrazol-3-yl)ethyl]-2-phenylcyclohexan-1-amine
CID 104695087
2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclopropan-1-amine
CID 103001291
N-methyl-2-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
CID 103004400
N-[2-(2-methylpyrazol-3-yl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 103004984
N-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 104695103
2,2-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclopentan-1-amine
CID 104695058
1-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-amine
CID 104694957
4,4-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
CID 104694248
1,2,5-trimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-amine
CID 104695040

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 2-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine (CID 113442329) is 2-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 2-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine is CCC1CCCCC1NCCc1ccnn1C.
What is the InChIKey of 2-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine?
The InChIKey is XUVSTURVONUSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-3-12-6-4-5-7-14(12)15-10-8-13-9-11-16-17(13)2/h9,11-12,14-15H,3-8,10H2,1-2H3.
What are the key properties of 2-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine?
2-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 113442329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).