2-(2-propan-2-ylpyrrolidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine

C15H28N4 — CID 103571938

IUPAC2-(2-propan-2-ylpyrrolidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine
SMILESCCCn1cc(C(CN)N2CCCC2C(C)C)cn1
InChIInChI=1S/C15H28N4/c1-4-7-18-11-13(10-17-18)15(9-16)19-8-5-6-14(19)12(2)3/h10-12,14-15H,4-9,16H2,1-3H3
InChIKeyJPBWHUUVLWKYHE-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.41
Rot. Bonds6

About 2-(2-propan-2-ylpyrrolidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine

2-(2-propan-2-ylpyrrolidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine (PubChem CID 103571938) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 2-(2-propan-2-ylpyrrolidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2-propan-2-ylpyrrolidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine
PubChem CID103571938
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name2-(2-propan-2-ylpyrrolidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine
SMILESCCCn1cc(C(CN)N2CCCC2C(C)C)cn1
InChIInChI=1S/C15H28N4/c1-4-7-18-11-13(10-17-18)15(9-16)19-8-5-6-14(19)12(2)3/h10-12,14-15H,4-9,16H2,1-3H3
InChIKeyJPBWHUUVLWKYHE-UHFFFAOYSA-N
XLogP2.41
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-propylpiperidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine
CID 103571978
2-(4-cyclopropylpiperazin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine
CID 103571785
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(1-propylpyrazol-4-yl)ethanamine
CID 103571951
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(1-propylpyrazol-4-yl)ethanamine
CID 103571823
2-(3,3-dimethylpiperidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine
CID 103571894
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(1-propylpyrazol-4-yl)ethanamine
CID 103572014
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(1-ethylpyrazol-4-yl)ethanamine
CID 103569643
2-(3-methoxy-3-methylpiperidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine
CID 107391436
2-(1-ethylpyrazol-4-yl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine
CID 103569678
2-(1-ethylpyrazol-4-yl)-2-(4-methoxypiperidin-1-yl)ethanamine
CID 103569451
1-[1-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanol
CID 112624618
1-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-2-yl]ethanamine
CID 104869108

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-ylpyrrolidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine?
The IUPAC name of 2-(2-propan-2-ylpyrrolidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine (CID 103571938) is 2-(2-propan-2-ylpyrrolidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-(2-propan-2-ylpyrrolidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine?
The canonical SMILES for 2-(2-propan-2-ylpyrrolidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine is CCCn1cc(C(CN)N2CCCC2C(C)C)cn1.
What is the InChIKey of 2-(2-propan-2-ylpyrrolidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine?
The InChIKey is JPBWHUUVLWKYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-4-7-18-11-13(10-17-18)15(9-16)19-8-5-6-14(19)12(2)3/h10-12,14-15H,4-9,16H2,1-3H3.
What are the key properties of 2-(2-propan-2-ylpyrrolidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine?
2-(2-propan-2-ylpyrrolidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine has a molecular weight of 264.42 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-ylpyrrolidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 103571938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).