N-[[5-(3-tert-butylpyrrolidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-2-amine

C17H30N4 — CID 107380836

IUPACN-[[5-(3-tert-butylpyrrolidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cnc(N2CCC(C(C)(C)C)C2)cn1
InChIInChI=1S/C17H30N4/c1-16(2,3)13-7-8-21(12-13)15-11-18-14(9-19-15)10-20-17(4,5)6/h9,11,13,20H,7-8,10,12H2,1-6H3
InChIKeyJGSYVXNPVXPYSW-UHFFFAOYSA-N
MW290.46 g/mol
LogP3.24
Rot. Bonds3

About N-[[5-(3-tert-butylpyrrolidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-2-amine

N-[[5-(3-tert-butylpyrrolidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 107380836) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is N-[[5-(3-tert-butylpyrrolidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-(3-tert-butylpyrrolidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID107380836
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC NameN-[[5-(3-tert-butylpyrrolidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cnc(N2CCC(C(C)(C)C)C2)cn1
InChIInChI=1S/C17H30N4/c1-16(2,3)13-7-8-21(12-13)15-11-18-14(9-19-15)10-20-17(4,5)6/h9,11,13,20H,7-8,10,12H2,1-6H3
InChIKeyJGSYVXNPVXPYSW-UHFFFAOYSA-N
XLogP3.24
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(3-ethylpiperidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
CID 107379243
N-[[5-(3,5-dimethylpiperidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
CID 107378958
N-[[5-(4-ethyl-4-methylpiperidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
CID 107380091
N-[[5-(2-ethylpyrrolidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
CID 107378795
N-methyl-1-[5-(3-methylpiperidin-1-yl)pyrazin-2-yl]methanamine
CID 107378854
N-[[5-(3-propan-2-ylpyrrolidin-1-yl)pyrazin-2-yl]methyl]ethanamine
CID 107380838
5-(4-tert-butylpiperidin-1-yl)pyrazin-2-amine
CID 80652911
1-[2-(3-tert-butylpyrrolidin-1-yl)-5-chloro-4-pyridinyl]-N-methylmethanamine
CID 114927093
N-methyl-1-[5-(3-phenylpyrrolidin-1-yl)pyrazin-2-yl]methanamine
CID 107378764
N-[[5-(3-propan-2-ylpyrrolidin-1-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 107380839
2-methyl-N-[[6-(3-methylpyrrolidin-1-yl)pyridazin-3-yl]methyl]propan-2-amine
CID 62281950
N-[[5-(3-propylpyrrolidin-1-yl)pyrazin-2-yl]methyl]propan-2-amine
CID 107380849

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-tert-butylpyrrolidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-(3-tert-butylpyrrolidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-2-amine (CID 107380836) is N-[[5-(3-tert-butylpyrrolidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-(3-tert-butylpyrrolidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-(3-tert-butylpyrrolidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cnc(N2CCC(C(C)(C)C)C2)cn1.
What is the InChIKey of N-[[5-(3-tert-butylpyrrolidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is JGSYVXNPVXPYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-16(2,3)13-7-8-21(12-13)15-11-18-14(9-19-15)10-20-17(4,5)6/h9,11,13,20H,7-8,10,12H2,1-6H3.
What are the key properties of N-[[5-(3-tert-butylpyrrolidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-2-amine?
N-[[5-(3-tert-butylpyrrolidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 290.46 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-tert-butylpyrrolidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107380836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).