N-ethyl-2-[(1-ethylpyrazol-4-yl)methyl]-4-methylcyclohexan-1-amine

C15H27N3 — CID 55041287

IUPACN-ethyl-2-[(1-ethylpyrazol-4-yl)methyl]-4-methylcyclohexan-1-amine
SMILESCCNC1CCC(C)CC1Cc1cnn(CC)c1
InChIInChI=1S/C15H27N3/c1-4-16-15-7-6-12(3)8-14(15)9-13-10-17-18(5-2)11-13/h10-12,14-16H,4-9H2,1-3H3
InChIKeyUTSLFOBBHCBUQR-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.86
Rot. Bonds5

About N-ethyl-2-[(1-ethylpyrazol-4-yl)methyl]-4-methylcyclohexan-1-amine

N-ethyl-2-[(1-ethylpyrazol-4-yl)methyl]-4-methylcyclohexan-1-amine (PubChem CID 55041287) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-ethyl-2-[(1-ethylpyrazol-4-yl)methyl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[(1-ethylpyrazol-4-yl)methyl]-4-methylcyclohexan-1-amine
PubChem CID55041287
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-ethyl-2-[(1-ethylpyrazol-4-yl)methyl]-4-methylcyclohexan-1-amine
SMILESCCNC1CCC(C)CC1Cc1cnn(CC)c1
InChIInChI=1S/C15H27N3/c1-4-16-15-7-6-12(3)8-14(15)9-13-10-17-18(5-2)11-13/h10-12,14-16H,4-9H2,1-3H3
InChIKeyUTSLFOBBHCBUQR-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-methyl-2-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 62127469
N-[[2-[(1-ethylpyrazol-4-yl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81032362
[2-[(1-ethylpyrazol-4-yl)methyl]-4-methylcyclohexyl]methanamine
CID 81010305
2-[(3,5-difluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 105404538
3-[(1-ethylpyrazol-4-yl)methyl]-2-methylcyclopentan-1-amine
CID 64909188
2-[(1-ethylpyrazol-4-yl)methyl]-N-methylcycloheptan-1-amine
CID 62126946
N-[(1-ethylpyrazol-4-yl)methyl]-1-(3-methylcyclopentyl)methanamine
CID 107411499
2-[(1-ethylpyrazol-4-yl)methyl]cyclopentan-1-ol
CID 62127889
2-[(1-ethylpyrazol-4-yl)methyl]-4-propylcyclohexan-1-amine
CID 62128171
2-[(3-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 79701432
2-(chloromethyl)-N-[(1-ethylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 106365342
N-[(1-ethylpyrazol-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 63243485

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(1-ethylpyrazol-4-yl)methyl]-4-methylcyclohexan-1-amine?
The IUPAC name of N-ethyl-2-[(1-ethylpyrazol-4-yl)methyl]-4-methylcyclohexan-1-amine (CID 55041287) is N-ethyl-2-[(1-ethylpyrazol-4-yl)methyl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for N-ethyl-2-[(1-ethylpyrazol-4-yl)methyl]-4-methylcyclohexan-1-amine?
The canonical SMILES for N-ethyl-2-[(1-ethylpyrazol-4-yl)methyl]-4-methylcyclohexan-1-amine is CCNC1CCC(C)CC1Cc1cnn(CC)c1.
What is the InChIKey of N-ethyl-2-[(1-ethylpyrazol-4-yl)methyl]-4-methylcyclohexan-1-amine?
The InChIKey is UTSLFOBBHCBUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-4-16-15-7-6-12(3)8-14(15)9-13-10-17-18(5-2)11-13/h10-12,14-16H,4-9H2,1-3H3.
What are the key properties of N-ethyl-2-[(1-ethylpyrazol-4-yl)methyl]-4-methylcyclohexan-1-amine?
N-ethyl-2-[(1-ethylpyrazol-4-yl)methyl]-4-methylcyclohexan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(1-ethylpyrazol-4-yl)methyl]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 55041287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).