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

C13H22N4O — CID 63760024

IUPAC3-[[1-(aminomethyl)-3-methylcyclohexyl]amino]-1-methylpyrazin-2-one
SMILESCC1CCCC(CN)(Nc2nccn(C)c2=O)C1
InChIInChI=1S/C13H22N4O/c1-10-4-3-5-13(8-10,9-14)16-11-12(18)17(2)7-6-15-11/h6-7,10H,3-5,8-9,14H2,1-2H3,(H,15,16)
InChIKeyOVULXSKWYGOVGQ-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.10
Rot. Bonds3

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

3-[[1-(aminomethyl)-3-methylcyclohexyl]amino]-1-methylpyrazin-2-one (PubChem CID 63760024) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-[[1-(aminomethyl)-3-methylcyclohexyl]amino]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[[1-(aminomethyl)-3-methylcyclohexyl]amino]-1-methylpyrazin-2-one
PubChem CID63760024
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name3-[[1-(aminomethyl)-3-methylcyclohexyl]amino]-1-methylpyrazin-2-one
SMILESCC1CCCC(CN)(Nc2nccn(C)c2=O)C1
InChIInChI=1S/C13H22N4O/c1-10-4-3-5-13(8-10,9-14)16-11-12(18)17(2)7-6-15-11/h6-7,10H,3-5,8-9,14H2,1-2H3,(H,15,16)
InChIKeyOVULXSKWYGOVGQ-UHFFFAOYSA-N
XLogP1.10
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[1-(aminomethyl)-3-methylcyclohexyl]amino]-1-propylpyrazin-2-one
CID 63761629
3-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-1-propylpyrazin-2-one
CID 62928639
3-[[1-(hydroxymethyl)cyclohexyl]amino]-1-methylpyrazin-2-one
CID 62940974
N-[1-(aminomethyl)-3-methylcyclohexyl]-5-bromoisoquinolin-1-amine
CID 106543360
N-[1-(aminomethyl)-3-methylcyclohexyl]-5-bromo-3-methylpyridin-2-amine
CID 79718564
N-[1-(aminomethyl)-3-methylcyclohexyl]-4-ethyl-1,3-thiazol-2-amine
CID 63759085
N-[1-(aminomethyl)-3-methylcyclohexyl]pyridazin-3-amine
CID 63761826
N-[1-(aminomethyl)-3-methylcyclohexyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 63759270
3-(cyclohexylmethylamino)-1-methylpyrazin-2-one
CID 62939564
3-[[1-(2-aminoethyl)cyclopropyl]methylamino]-1-methylpyrazin-2-one
CID 114759174
3-[[1-(hydroxymethyl)cyclopentyl]amino]-1-propan-2-ylpyrazin-2-one
CID 55155845
N-[1-(aminomethyl)-3-methylcyclohexyl]-3-ethyltriazol-4-amine
CID 114223495

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(aminomethyl)-3-methylcyclohexyl]amino]-1-methylpyrazin-2-one?
The IUPAC name of 3-[[1-(aminomethyl)-3-methylcyclohexyl]amino]-1-methylpyrazin-2-one (CID 63760024) is 3-[[1-(aminomethyl)-3-methylcyclohexyl]amino]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[[1-(aminomethyl)-3-methylcyclohexyl]amino]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[[1-(aminomethyl)-3-methylcyclohexyl]amino]-1-methylpyrazin-2-one is CC1CCCC(CN)(Nc2nccn(C)c2=O)C1.
What is the InChIKey of 3-[[1-(aminomethyl)-3-methylcyclohexyl]amino]-1-methylpyrazin-2-one?
The InChIKey is OVULXSKWYGOVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10-4-3-5-13(8-10,9-14)16-11-12(18)17(2)7-6-15-11/h6-7,10H,3-5,8-9,14H2,1-2H3,(H,15,16).
What are the key properties of 3-[[1-(aminomethyl)-3-methylcyclohexyl]amino]-1-methylpyrazin-2-one?
3-[[1-(aminomethyl)-3-methylcyclohexyl]amino]-1-methylpyrazin-2-one has a molecular weight of 250.35 g/mol, XLogP of 1.10, 3 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-methylpyrazin-2-one is sourced from PubChem (CID 63760024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).