N-[[5-(2-cyclopentylpyrrolidin-1-yl)pyrazin-2-yl]methyl]propan-2-amine

C17H28N4 — CID 107379535

IUPACN-[[5-(2-cyclopentylpyrrolidin-1-yl)pyrazin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(N2CCCC2C2CCCC2)cn1
InChIInChI=1S/C17H28N4/c1-13(2)18-10-15-11-20-17(12-19-15)21-9-5-8-16(21)14-6-3-4-7-14/h11-14,16,18H,3-10H2,1-2H3
InChIKeyNEQSVCSDBSQXEZ-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.13
Rot. Bonds5

About N-[[5-(2-cyclopentylpyrrolidin-1-yl)pyrazin-2-yl]methyl]propan-2-amine

N-[[5-(2-cyclopentylpyrrolidin-1-yl)pyrazin-2-yl]methyl]propan-2-amine (PubChem CID 107379535) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[[5-(2-cyclopentylpyrrolidin-1-yl)pyrazin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(2-cyclopentylpyrrolidin-1-yl)pyrazin-2-yl]methyl]propan-2-amine
PubChem CID107379535
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC NameN-[[5-(2-cyclopentylpyrrolidin-1-yl)pyrazin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(N2CCCC2C2CCCC2)cn1
InChIInChI=1S/C17H28N4/c1-13(2)18-10-15-11-20-17(12-19-15)21-9-5-8-16(21)14-6-3-4-7-14/h11-14,16,18H,3-10H2,1-2H3
InChIKeyNEQSVCSDBSQXEZ-UHFFFAOYSA-N
XLogP3.13
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107380430
N-[[5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]pyrazin-2-yl]methyl]cyclopropanamine
CID 107381002
N-[[5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107380713
N-[(5-pyrrolidin-1-ylpyrazin-2-yl)methyl]propan-2-amine
CID 107378812
N-[[3-(2-cyclopentylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 105073329
N-[[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-pyridinyl]methyl]propan-2-amine
CID 102728402
N-[[5-(3-methylmorpholin-4-yl)pyrazin-2-yl]methyl]propan-2-amine
CID 107379181
N-[[2-(2-cyclopentylpyrrolidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 62294590
N-[[5-(3,5-dimethylpiperidin-1-yl)pyrazin-2-yl]methyl]propan-2-amine
CID 107378954
N-[[5-(4,4-dimethylazepan-1-yl)pyrazin-2-yl]methyl]propan-2-amine
CID 107380419
N-[[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 80638431
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-(2-cyclopentylpyrrolidin-1-yl)pyrazin-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(2-cyclopentylpyrrolidin-1-yl)pyrazin-2-yl]methyl]propan-2-amine (CID 107379535) is N-[[5-(2-cyclopentylpyrrolidin-1-yl)pyrazin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(2-cyclopentylpyrrolidin-1-yl)pyrazin-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(2-cyclopentylpyrrolidin-1-yl)pyrazin-2-yl]methyl]propan-2-amine is CC(C)NCc1cnc(N2CCCC2C2CCCC2)cn1.
What is the InChIKey of N-[[5-(2-cyclopentylpyrrolidin-1-yl)pyrazin-2-yl]methyl]propan-2-amine?
The InChIKey is NEQSVCSDBSQXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-13(2)18-10-15-11-20-17(12-19-15)21-9-5-8-16(21)14-6-3-4-7-14/h11-14,16,18H,3-10H2,1-2H3.
What are the key properties of N-[[5-(2-cyclopentylpyrrolidin-1-yl)pyrazin-2-yl]methyl]propan-2-amine?
N-[[5-(2-cyclopentylpyrrolidin-1-yl)pyrazin-2-yl]methyl]propan-2-amine has a molecular weight of 288.44 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-cyclopentylpyrrolidin-1-yl)pyrazin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 107379535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).