2-(3,3-dimethylpyrrolidin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine

C12H22N4 — CID 115291360

IUPAC2-(3,3-dimethylpyrrolidin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine
SMILESCn1cc(C(N)CN2CCC(C)(C)C2)cn1
InChIInChI=1S/C12H22N4/c1-12(2)4-5-16(9-12)8-11(13)10-6-14-15(3)7-10/h6-7,11H,4-5,8-9,13H2,1-3H3
InChIKeyBFGGUHKCKSWPMG-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.15
Rot. Bonds3

About 2-(3,3-dimethylpyrrolidin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine

2-(3,3-dimethylpyrrolidin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine (PubChem CID 115291360) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 2-(3,3-dimethylpyrrolidin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3,3-dimethylpyrrolidin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine
PubChem CID115291360
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name2-(3,3-dimethylpyrrolidin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine
SMILESCn1cc(C(N)CN2CCC(C)(C)C2)cn1
InChIInChI=1S/C12H22N4/c1-12(2)4-5-16(9-12)8-11(13)10-6-14-15(3)7-10/h6-7,11H,4-5,8-9,13H2,1-3H3
InChIKeyBFGGUHKCKSWPMG-UHFFFAOYSA-N
XLogP1.15
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylpyrazol-4-yl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine
CID 113280074
2-(2,2-dimethylmorpholin-4-yl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 115291150
2-(4-ethylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 113280007
1-(1-methylpyrazol-4-yl)-2-thiomorpholin-4-ylethanamine
CID 115291117
(1R)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 93094324
2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 113280017
2-(4-ethylpiperidin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 115291197
(2S)-2-amino-2-(1-methylpyrazol-4-yl)ethanol
CID 93471722
2-(2-ethylmorpholin-4-yl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 115291142
(3R)-3-amino-3-(1-methylpyrazol-4-yl)propanoic acid
CID 28600208
2-(3,3-dimethylpyrrolidin-1-yl)-1-(2-fluorophenyl)ethanamine
CID 114058293
(3R)-3-amino-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 94420132

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylpyrrolidin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine?
The IUPAC name of 2-(3,3-dimethylpyrrolidin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine (CID 115291360) is 2-(3,3-dimethylpyrrolidin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-(3,3-dimethylpyrrolidin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine?
The canonical SMILES for 2-(3,3-dimethylpyrrolidin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine is Cn1cc(C(N)CN2CCC(C)(C)C2)cn1.
What is the InChIKey of 2-(3,3-dimethylpyrrolidin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine?
The InChIKey is BFGGUHKCKSWPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-12(2)4-5-16(9-12)8-11(13)10-6-14-15(3)7-10/h6-7,11H,4-5,8-9,13H2,1-3H3.
What are the key properties of 2-(3,3-dimethylpyrrolidin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine?
2-(3,3-dimethylpyrrolidin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine has a molecular weight of 222.34 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylpyrrolidin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 115291360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).