2-methyl-N-[[5-(1,4-thiazepan-4-yl)pyrazin-2-yl]methyl]propan-1-amine

C14H24N4S — CID 107379892

IUPAC2-methyl-N-[[5-(1,4-thiazepan-4-yl)pyrazin-2-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1cnc(N2CCCSCC2)cn1
InChIInChI=1S/C14H24N4S/c1-12(2)8-15-9-13-10-17-14(11-16-13)18-4-3-6-19-7-5-18/h10-12,15H,3-9H2,1-2H3
InChIKeyXKQQHUYYMJBDQL-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.17
Rot. Bonds5

About 2-methyl-N-[[5-(1,4-thiazepan-4-yl)pyrazin-2-yl]methyl]propan-1-amine

2-methyl-N-[[5-(1,4-thiazepan-4-yl)pyrazin-2-yl]methyl]propan-1-amine (PubChem CID 107379892) has the molecular formula C14H24N4S and a molecular weight of 280.44 g/mol. Its IUPAC name is 2-methyl-N-[[5-(1,4-thiazepan-4-yl)pyrazin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-(1,4-thiazepan-4-yl)pyrazin-2-yl]methyl]propan-1-amine
PubChem CID107379892
Molecular FormulaC14H24N4S
Molecular Weight280.44 g/mol
Exact Mass280.17
IUPAC Name2-methyl-N-[[5-(1,4-thiazepan-4-yl)pyrazin-2-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1cnc(N2CCCSCC2)cn1
InChIInChI=1S/C14H24N4S/c1-12(2)8-15-9-13-10-17-14(11-16-13)18-4-3-6-19-7-5-18/h10-12,15H,3-9H2,1-2H3
InChIKeyXKQQHUYYMJBDQL-UHFFFAOYSA-N
XLogP2.17
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[[5-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 107379011
2-methyl-N-[[5-(2-methylthiomorpholin-4-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 107380888
2-methyl-N-[[5-(4-propylpiperazin-1-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 107378980
N-[[5-[4-(methoxymethyl)piperidin-1-yl]pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107380346
N-[[5-(3-ethoxypiperidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107379920
N-[(5-pyrrolidin-1-ylpyrazin-2-yl)methyl]propan-2-amine
CID 107378812
N-[[5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107380986
N-[[5-(3,4-dimethoxypyrrolidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107381080
N-[[5-(2,6-dimethylmorpholin-4-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107378849
N-[[5-bromo-2-(1,4-thiazepan-4-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62288380
N-[(5-pyrrolidin-1-ylpyrazin-2-yl)methyl]propan-1-amine
CID 107378814
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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(1,4-thiazepan-4-yl)pyrazin-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[5-(1,4-thiazepan-4-yl)pyrazin-2-yl]methyl]propan-1-amine (CID 107379892) is 2-methyl-N-[[5-(1,4-thiazepan-4-yl)pyrazin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[5-(1,4-thiazepan-4-yl)pyrazin-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[5-(1,4-thiazepan-4-yl)pyrazin-2-yl]methyl]propan-1-amine is CC(C)CNCc1cnc(N2CCCSCC2)cn1.
What is the InChIKey of 2-methyl-N-[[5-(1,4-thiazepan-4-yl)pyrazin-2-yl]methyl]propan-1-amine?
The InChIKey is XKQQHUYYMJBDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4S/c1-12(2)8-15-9-13-10-17-14(11-16-13)18-4-3-6-19-7-5-18/h10-12,15H,3-9H2,1-2H3.
What are the key properties of 2-methyl-N-[[5-(1,4-thiazepan-4-yl)pyrazin-2-yl]methyl]propan-1-amine?
2-methyl-N-[[5-(1,4-thiazepan-4-yl)pyrazin-2-yl]methyl]propan-1-amine has a molecular weight of 280.44 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(1,4-thiazepan-4-yl)pyrazin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 107379892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).