N-[(2-ethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine

C15H27N3 — CID 65195450

IUPACN-[(2-ethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cnn(C)c1)C1CCCCC1CC
InChIInChI=1S/C15H27N3/c1-4-12-8-6-7-9-14(12)15(16-5-2)13-10-17-18(3)11-13/h10-12,14-16H,4-9H2,1-3H3
InChIKeyAGQFQQAHOBPXMP-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.29
Rot. Bonds5

About N-[(2-ethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine

N-[(2-ethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine (PubChem CID 65195450) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[(2-ethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-ethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
PubChem CID65195450
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-[(2-ethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cnn(C)c1)C1CCCCC1CC
InChIInChI=1S/C15H27N3/c1-4-12-8-6-7-9-14(12)15(16-5-2)13-10-17-18(3)11-13/h10-12,14-16H,4-9H2,1-3H3
InChIKeyAGQFQQAHOBPXMP-UHFFFAOYSA-N
XLogP3.29
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 65195064
N-[(3-ethylcyclopentyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 65410246
N-[(1-methylpyrazol-4-yl)-(oxan-3-yl)methyl]ethanamine
CID 65332421
N-[(3,5-dimethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 65195899
N-[(3,4-dimethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 65195505
N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 43492401
N-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 79088876
3-[ethylamino-(2-ethylcyclohexyl)methyl]-N,N-dimethylaniline
CID 105151275
2-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol
CID 64927227
N-[(1-methylpyrazol-4-yl)-(oxan-2-yl)methyl]propan-1-amine
CID 115809147
N-ethyl-2,2-dimethyl-1-(1-methylpyrazol-4-yl)propan-1-amine
CID 43492399
[7-bicyclo[4.1.0]heptanyl-(1-methylpyrazol-4-yl)methyl]hydrazine
CID 105288758

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(2-ethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine (CID 65195450) is N-[(2-ethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-ethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-ethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine is CCNC(c1cnn(C)c1)C1CCCCC1CC.
What is the InChIKey of N-[(2-ethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is AGQFQQAHOBPXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-4-12-8-6-7-9-14(12)15(16-5-2)13-10-17-18(3)11-13/h10-12,14-16H,4-9H2,1-3H3.
What are the key properties of N-[(2-ethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine?
N-[(2-ethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 249.40 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 65195450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).