1-(2,2-dimethylcyclopropyl)-2-(1-ethylpyrazol-4-yl)-N-methylethanamine

C13H23N3 — CID 107004226

IUPAC1-(2,2-dimethylcyclopropyl)-2-(1-ethylpyrazol-4-yl)-N-methylethanamine
SMILESCCn1cc(CC(NC)C2CC2(C)C)cn1
InChIInChI=1S/C13H23N3/c1-5-16-9-10(8-15-16)6-12(14-4)11-7-13(11,2)3/h8-9,11-12,14H,5-7H2,1-4H3
InChIKeyLEKFXRSBQPBWOH-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.08
Rot. Bonds5

About 1-(2,2-dimethylcyclopropyl)-2-(1-ethylpyrazol-4-yl)-N-methylethanamine

1-(2,2-dimethylcyclopropyl)-2-(1-ethylpyrazol-4-yl)-N-methylethanamine (PubChem CID 107004226) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopropyl)-2-(1-ethylpyrazol-4-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopropyl)-2-(1-ethylpyrazol-4-yl)-N-methylethanamine
PubChem CID107004226
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-(2,2-dimethylcyclopropyl)-2-(1-ethylpyrazol-4-yl)-N-methylethanamine
SMILESCCn1cc(CC(NC)C2CC2(C)C)cn1
InChIInChI=1S/C13H23N3/c1-5-16-9-10(8-15-16)6-12(14-4)11-7-13(11,2)3/h8-9,11-12,14H,5-7H2,1-4H3
InChIKeyLEKFXRSBQPBWOH-UHFFFAOYSA-N
XLogP2.08
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-dimethylcyclopropyl)-2-(1-ethylpyrazol-4-yl)ethanamine
CID 107004225
1-cyclooctyl-2-(1-ethylpyrazol-4-yl)-N-methylethanamine
CID 80603195
2-(1-ethylpyrazol-4-yl)-N-methyl-1-(oxan-4-yl)ethanamine
CID 65334757
2-(1-ethylpyrazol-4-yl)-N-methyl-1-(1-methylcyclopentyl)ethanamine
CID 115822926
1-(5,6-dimethyl-1,4-dithian-2-yl)-2-(1-ethylpyrazol-4-yl)-N-methylethanamine
CID 103346014
[(2,2-dimethylcyclopropyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine
CID 107005582
[2-(1-ethylpyrazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethyl]hydrazine
CID 105291456
N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine
CID 115998211
2-(1-ethylpyrazol-4-yl)-1-(1-methylcyclopentyl)ethanamine
CID 115822094
2-amino-3-(1-ethylpyrazol-4-yl)propan-1-ol
CID 64571799
N-[1-(4-ethylcyclohexyl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 65393126
3-cyclopropyl-1-(1-ethylpyrazol-4-yl)-N-propylbutan-2-amine
CID 115822934

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopropyl)-2-(1-ethylpyrazol-4-yl)-N-methylethanamine?
The IUPAC name of 1-(2,2-dimethylcyclopropyl)-2-(1-ethylpyrazol-4-yl)-N-methylethanamine (CID 107004226) is 1-(2,2-dimethylcyclopropyl)-2-(1-ethylpyrazol-4-yl)-N-methylethanamine.
What is the SMILES notation for 1-(2,2-dimethylcyclopropyl)-2-(1-ethylpyrazol-4-yl)-N-methylethanamine?
The canonical SMILES for 1-(2,2-dimethylcyclopropyl)-2-(1-ethylpyrazol-4-yl)-N-methylethanamine is CCn1cc(CC(NC)C2CC2(C)C)cn1.
What is the InChIKey of 1-(2,2-dimethylcyclopropyl)-2-(1-ethylpyrazol-4-yl)-N-methylethanamine?
The InChIKey is LEKFXRSBQPBWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-5-16-9-10(8-15-16)6-12(14-4)11-7-13(11,2)3/h8-9,11-12,14H,5-7H2,1-4H3.
What are the key properties of 1-(2,2-dimethylcyclopropyl)-2-(1-ethylpyrazol-4-yl)-N-methylethanamine?
1-(2,2-dimethylcyclopropyl)-2-(1-ethylpyrazol-4-yl)-N-methylethanamine has a molecular weight of 221.35 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopropyl)-2-(1-ethylpyrazol-4-yl)-N-methylethanamine is sourced from PubChem (CID 107004226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).