2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2-ethylpiperidin-1-yl)ethanamine

C17H32N4 — CID 83090524

IUPAC2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2-ethylpiperidin-1-yl)ethanamine
SMILESCCC1CCCCN1C(CN)c1cn(C)nc1C(C)(C)C
InChIInChI=1S/C17H32N4/c1-6-13-9-7-8-10-21(13)15(11-18)14-12-20(5)19-16(14)17(2,3)4/h12-13,15H,6-11,18H2,1-5H3
InChIKeyDOATXBJRRCBQFA-UHFFFAOYSA-N
MW292.47 g/mol
LogP2.98
Rot. Bonds4

About 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2-ethylpiperidin-1-yl)ethanamine

2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2-ethylpiperidin-1-yl)ethanamine (PubChem CID 83090524) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2-ethylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2-ethylpiperidin-1-yl)ethanamine
PubChem CID83090524
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2-ethylpiperidin-1-yl)ethanamine
SMILESCCC1CCCCN1C(CN)c1cn(C)nc1C(C)(C)C
InChIInChI=1S/C17H32N4/c1-6-13-9-7-8-10-21(13)15(11-18)14-12-20(5)19-16(14)17(2,3)4/h12-13,15H,6-11,18H2,1-5H3
InChIKeyDOATXBJRRCBQFA-UHFFFAOYSA-N
XLogP2.98
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-amino-1-(3-tert-butyl-1-methylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 83090688
2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-morpholin-4-ylethanamine
CID 83089493
2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine
CID 83090809
2-(2-ethylpiperidin-1-yl)-2-(3-propylimidazol-4-yl)ethanamine
CID 66130796
2-(2-ethylpiperidin-1-yl)-2-phenylethanamine
CID 43266409
2-(2-ethylpiperidin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 43266345
2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine
CID 83090663
2-(2-ethylpyrrolidin-1-yl)-2-(2-fluorophenyl)ethanamine
CID 60974674
2-(2,6-dichlorophenyl)-2-(2-ethylazepan-1-yl)ethanamine
CID 104689325
2-(4-cyclopropylphenyl)-2-(2-ethylpiperidin-1-yl)ethanamine
CID 79984560
2-[4-(difluoromethyl)phenyl]-2-(2-ethylazepan-1-yl)ethanamine
CID 104689206
2-(2-ethylpyrrolidin-1-yl)-2-(3-propylimidazol-4-yl)ethanamine
CID 66130403

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2-ethylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2-ethylpiperidin-1-yl)ethanamine (CID 83090524) is 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2-ethylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2-ethylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2-ethylpiperidin-1-yl)ethanamine is CCC1CCCCN1C(CN)c1cn(C)nc1C(C)(C)C.
What is the InChIKey of 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2-ethylpiperidin-1-yl)ethanamine?
The InChIKey is DOATXBJRRCBQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-6-13-9-7-8-10-21(13)15(11-18)14-12-20(5)19-16(14)17(2,3)4/h12-13,15H,6-11,18H2,1-5H3.
What are the key properties of 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2-ethylpiperidin-1-yl)ethanamine?
2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2-ethylpiperidin-1-yl)ethanamine has a molecular weight of 292.47 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2-ethylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 83090524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).