1-[2-amino-1-(3-tert-butyl-1-methylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine

C16H31N5 — CID 83090688

IUPAC1-[2-amino-1-(3-tert-butyl-1-methylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(C(CN)c2cn(C)nc2C(C)(C)C)C1
InChIInChI=1S/C16H31N5/c1-16(2,3)15-13(11-20(6)18-15)14(9-17)21-8-7-12(10-21)19(4)5/h11-12,14H,7-10,17H2,1-6H3
InChIKeyIMCVLJDDKOYJSZ-UHFFFAOYSA-N
MW293.46 g/mol
LogP1.35
Rot. Bonds4

About 1-[2-amino-1-(3-tert-butyl-1-methylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine

1-[2-amino-1-(3-tert-butyl-1-methylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 83090688) has the molecular formula C16H31N5 and a molecular weight of 293.46 g/mol. Its IUPAC name is 1-[2-amino-1-(3-tert-butyl-1-methylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-amino-1-(3-tert-butyl-1-methylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID83090688
Molecular FormulaC16H31N5
Molecular Weight293.46 g/mol
Exact Mass293.26
IUPAC Name1-[2-amino-1-(3-tert-butyl-1-methylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(C(CN)c2cn(C)nc2C(C)(C)C)C1
InChIInChI=1S/C16H31N5/c1-16(2,3)15-13(11-20(6)18-15)14(9-17)21-8-7-12(10-21)19(4)5/h11-12,14H,7-10,17H2,1-6H3
InChIKeyIMCVLJDDKOYJSZ-UHFFFAOYSA-N
XLogP1.35
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(3-tert-butyl-1-methylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[2-amino-1-(3-tert-butyl-1-methylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine (CID 83090688) is 1-[2-amino-1-(3-tert-butyl-1-methylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[2-amino-1-(3-tert-butyl-1-methylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[2-amino-1-(3-tert-butyl-1-methylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine is CN(C)C1CCN(C(CN)c2cn(C)nc2C(C)(C)C)C1.
What is the InChIKey of 1-[2-amino-1-(3-tert-butyl-1-methylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is IMCVLJDDKOYJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N5/c1-16(2,3)15-13(11-20(6)18-15)14(9-17)21-8-7-12(10-21)19(4)5/h11-12,14H,7-10,17H2,1-6H3.
What are the key properties of 1-[2-amino-1-(3-tert-butyl-1-methylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine?
1-[2-amino-1-(3-tert-butyl-1-methylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 293.46 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-1-(3-tert-butyl-1-methylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 83090688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).