3-[[1-(aminomethyl)-3-methylcyclohexyl]amino]-1-propylpyrazin-2-one

C15H26N4O — CID 63761629

IUPAC3-[[1-(aminomethyl)-3-methylcyclohexyl]amino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NC2(CN)CCCC(C)C2)c1=O
InChIInChI=1S/C15H26N4O/c1-3-8-19-9-7-17-13(14(19)20)18-15(11-16)6-4-5-12(2)10-15/h7,9,12H,3-6,8,10-11,16H2,1-2H3,(H,17,18)
InChIKeyHVOAUQGYMYYAFG-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.97
Rot. Bonds5

About 3-[[1-(aminomethyl)-3-methylcyclohexyl]amino]-1-propylpyrazin-2-one

3-[[1-(aminomethyl)-3-methylcyclohexyl]amino]-1-propylpyrazin-2-one (PubChem CID 63761629) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-[[1-(aminomethyl)-3-methylcyclohexyl]amino]-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-[[1-(aminomethyl)-3-methylcyclohexyl]amino]-1-propylpyrazin-2-one
PubChem CID63761629
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name3-[[1-(aminomethyl)-3-methylcyclohexyl]amino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NC2(CN)CCCC(C)C2)c1=O
InChIInChI=1S/C15H26N4O/c1-3-8-19-9-7-17-13(14(19)20)18-15(11-16)6-4-5-12(2)10-15/h7,9,12H,3-6,8,10-11,16H2,1-2H3,(H,17,18)
InChIKeyHVOAUQGYMYYAFG-UHFFFAOYSA-N
XLogP1.97
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-1-propylpyrazin-2-one
CID 62928639
3-[[1-(aminomethyl)-3-methylcyclohexyl]amino]-1-methylpyrazin-2-one
CID 63760024
3-[[1-(chloromethyl)cyclohexyl]amino]-1-propylpyrazin-2-one
CID 65028800
1-propyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]pyrazin-2-one
CID 103967207
3-[(2-aminocyclopentyl)amino]-1-propylpyrazin-2-one
CID 63252226
3-methyl-1-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 79744716
3-[(1-methylcyclopentyl)methylamino]-1-propylpyrazin-2-one
CID 63830300
3-[[1-(chloromethyl)cyclohexyl]amino]-1-ethylpyrazin-2-one
CID 65028801
3-[(2-methylcyclohexyl)methylamino]-1-propylpyrazin-2-one
CID 62928622
3-[(2-methyloxolan-3-yl)amino]-1-propylpyrazin-2-one
CID 82728930
N-[1-(aminomethyl)-3-methylcyclohexyl]-5-bromoisoquinolin-1-amine
CID 106543360
N-[1-(aminomethyl)-3-methylcyclohexyl]-5-bromo-3-methylpyridin-2-amine
CID 79718564

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(aminomethyl)-3-methylcyclohexyl]amino]-1-propylpyrazin-2-one?
The IUPAC name of 3-[[1-(aminomethyl)-3-methylcyclohexyl]amino]-1-propylpyrazin-2-one (CID 63761629) is 3-[[1-(aminomethyl)-3-methylcyclohexyl]amino]-1-propylpyrazin-2-one.
What is the SMILES notation for 3-[[1-(aminomethyl)-3-methylcyclohexyl]amino]-1-propylpyrazin-2-one?
The canonical SMILES for 3-[[1-(aminomethyl)-3-methylcyclohexyl]amino]-1-propylpyrazin-2-one is CCCn1ccnc(NC2(CN)CCCC(C)C2)c1=O.
What is the InChIKey of 3-[[1-(aminomethyl)-3-methylcyclohexyl]amino]-1-propylpyrazin-2-one?
The InChIKey is HVOAUQGYMYYAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-3-8-19-9-7-17-13(14(19)20)18-15(11-16)6-4-5-12(2)10-15/h7,9,12H,3-6,8,10-11,16H2,1-2H3,(H,17,18).
What are the key properties of 3-[[1-(aminomethyl)-3-methylcyclohexyl]amino]-1-propylpyrazin-2-one?
3-[[1-(aminomethyl)-3-methylcyclohexyl]amino]-1-propylpyrazin-2-one has a molecular weight of 278.40 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(aminomethyl)-3-methylcyclohexyl]amino]-1-propylpyrazin-2-one is sourced from PubChem (CID 63761629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).