4-(3-aminophenyl)-1-methyl-1,3-diazinan-2-one

C11H15N3O — CID 105457644

IUPAC4-(3-aminophenyl)-1-methyl-1,3-diazinan-2-one
SMILESCN1CCC(c2cccc(N)c2)NC1=O
InChIInChI=1S/C11H15N3O/c1-14-6-5-10(13-11(14)15)8-3-2-4-9(12)7-8/h2-4,7,10H,5-6,12H2,1H3,(H,13,15)
InChIKeyJUDVDDLCSLDJHV-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.36
Rot. Bonds1

About 4-(3-aminophenyl)-1-methyl-1,3-diazinan-2-one

4-(3-aminophenyl)-1-methyl-1,3-diazinan-2-one (PubChem CID 105457644) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 4-(3-aminophenyl)-1-methyl-1,3-diazinan-2-one.

Molecular Properties

Compound Name4-(3-aminophenyl)-1-methyl-1,3-diazinan-2-one
PubChem CID105457644
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name4-(3-aminophenyl)-1-methyl-1,3-diazinan-2-one
SMILESCN1CCC(c2cccc(N)c2)NC1=O
InChIInChI=1S/C11H15N3O/c1-14-6-5-10(13-11(14)15)8-3-2-4-9(12)7-8/h2-4,7,10H,5-6,12H2,1H3,(H,13,15)
InChIKeyJUDVDDLCSLDJHV-UHFFFAOYSA-N
XLogP1.36
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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3-(2-methylcyclopentyl)aniline
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1-[4-(3-aminophenyl)piperidin-1-yl]-2-(dimethylamino)ethanone
CID 68678854
3-(1-ethylpyrrolidin-3-yl)aniline
CID 46941945
3-piperazin-2-ylaniline
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1-(3-aminophenyl)-4-(4-bromophenyl)imidazolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminophenyl)-1-methyl-1,3-diazinan-2-one?
The IUPAC name of 4-(3-aminophenyl)-1-methyl-1,3-diazinan-2-one (CID 105457644) is 4-(3-aminophenyl)-1-methyl-1,3-diazinan-2-one.
What is the SMILES notation for 4-(3-aminophenyl)-1-methyl-1,3-diazinan-2-one?
The canonical SMILES for 4-(3-aminophenyl)-1-methyl-1,3-diazinan-2-one is CN1CCC(c2cccc(N)c2)NC1=O.
What is the InChIKey of 4-(3-aminophenyl)-1-methyl-1,3-diazinan-2-one?
The InChIKey is JUDVDDLCSLDJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-14-6-5-10(13-11(14)15)8-3-2-4-9(12)7-8/h2-4,7,10H,5-6,12H2,1H3,(H,13,15).
What are the key properties of 4-(3-aminophenyl)-1-methyl-1,3-diazinan-2-one?
4-(3-aminophenyl)-1-methyl-1,3-diazinan-2-one has a molecular weight of 205.26 g/mol, XLogP of 1.36, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminophenyl)-1-methyl-1,3-diazinan-2-one is sourced from PubChem (CID 105457644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).