1-(2,2-dimethylcyclohexyl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine

C17H31N3 — CID 107189434

IUPAC1-(2,2-dimethylcyclohexyl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine
SMILESCCNC(Cc1cc(C)nn1C)C1CCCCC1(C)C
InChIInChI=1S/C17H31N3/c1-6-18-16(12-14-11-13(2)19-20(14)5)15-9-7-8-10-17(15,3)4/h11,15-16,18H,6-10,12H2,1-5H3
InChIKeyHSFIVEDPFPYKID-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.47
Rot. Bonds5

About 1-(2,2-dimethylcyclohexyl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine

1-(2,2-dimethylcyclohexyl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine (PubChem CID 107189434) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclohexyl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclohexyl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine
PubChem CID107189434
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name1-(2,2-dimethylcyclohexyl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine
SMILESCCNC(Cc1cc(C)nn1C)C1CCCCC1(C)C
InChIInChI=1S/C17H31N3/c1-6-18-16(12-14-11-13(2)19-20(14)5)15-9-7-8-10-17(15,3)4/h11,15-16,18H,6-10,12H2,1-5H3
InChIKeyHSFIVEDPFPYKID-UHFFFAOYSA-N
XLogP3.47
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-dimethylcyclohexyl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 107179603
2-(2,5-difluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine
CID 107187957
1-(2,2-dimethylcyclohexyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 107189700
1-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)-N-propylpropan-2-amine
CID 104996236
2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(3-ethyl-1,4-dithian-2-yl)ethanamine
CID 115388091
2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine
CID 104996471
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2,2-dimethylcyclohexyl)-N-methylethanamine
CID 107189630
2-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)-N-methylpropan-1-amine
CID 112569707
1-(2,2-dimethylcyclopentyl)-N-ethylpropan-1-amine
CID 79863310
2-cyclohexyl-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine
CID 107188282
2-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)-N-propylpropan-1-amine
CID 112569917
2-(2,5-difluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine
CID 107187954

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclohexyl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine?
The IUPAC name of 1-(2,2-dimethylcyclohexyl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine (CID 107189434) is 1-(2,2-dimethylcyclohexyl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine.
What is the SMILES notation for 1-(2,2-dimethylcyclohexyl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine?
The canonical SMILES for 1-(2,2-dimethylcyclohexyl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine is CCNC(Cc1cc(C)nn1C)C1CCCCC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclohexyl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine?
The InChIKey is HSFIVEDPFPYKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-6-18-16(12-14-11-13(2)19-20(14)5)15-9-7-8-10-17(15,3)4/h11,15-16,18H,6-10,12H2,1-5H3.
What are the key properties of 1-(2,2-dimethylcyclohexyl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine?
1-(2,2-dimethylcyclohexyl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine has a molecular weight of 277.46 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclohexyl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine is sourced from PubChem (CID 107189434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).