5-[4-(aminomethyl)phenyl]-5-methyl-1,3-diazinan-2-one

C12H17N3O — CID 105474478

IUPAC5-[4-(aminomethyl)phenyl]-5-methyl-1,3-diazinan-2-one
SMILESCC1(c2ccc(CN)cc2)CNC(=O)NC1
InChIInChI=1S/C12H17N3O/c1-12(7-14-11(16)15-8-12)10-4-2-9(6-13)3-5-10/h2-5H,6-8,13H2,1H3,(H2,14,15,16)
InChIKeyZHJVDWYLGHZULS-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.72
Rot. Bonds2

About 5-[4-(aminomethyl)phenyl]-5-methyl-1,3-diazinan-2-one

5-[4-(aminomethyl)phenyl]-5-methyl-1,3-diazinan-2-one (PubChem CID 105474478) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 5-[4-(aminomethyl)phenyl]-5-methyl-1,3-diazinan-2-one.

Molecular Properties

Compound Name5-[4-(aminomethyl)phenyl]-5-methyl-1,3-diazinan-2-one
PubChem CID105474478
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name5-[4-(aminomethyl)phenyl]-5-methyl-1,3-diazinan-2-one
SMILESCC1(c2ccc(CN)cc2)CNC(=O)NC1
InChIInChI=1S/C12H17N3O/c1-12(7-14-11(16)15-8-12)10-4-2-9(6-13)3-5-10/h2-5H,6-8,13H2,1H3,(H2,14,15,16)
InChIKeyZHJVDWYLGHZULS-UHFFFAOYSA-N
XLogP0.72
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-ethylphenyl)-4-methylpyrrolidin-2-one
CID 66106295
[4-(3-methyldiazirin-3-yl)phenyl]methanamine
CID 163612926
1-[4-(aminomethyl)phenyl]cyclopropan-1-amine
CID 55270414
1-[4-(aminomethyl)phenyl]-N,N-dimethylcyclopropan-1-amine
CID 115018324
(5R)-3-[4-(aminomethyl)phenyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 124585523
5,5-dibenzyl-1,3-diazinan-2-one
CID 10978856
4-[3-(aminomethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one
CID 105458788
4-[3-(aminomethyl)phenyl]-1,4-dimethylimidazolidin-2-one
CID 105474443
4-(4-tert-butylphenyl)-4-methylpyrrolidin-2-one
CID 66106076
4-(4-methoxyphenyl)-4-methylimidazolidin-2-one
CID 105458751
1-[4-(aminomethyl)phenyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 43437343
5-(aminomethyl)-5-(4-ethylphenyl)-1,3-oxazolidin-2-one
CID 82286284

Frequently Asked Questions

What is the IUPAC name of 5-[4-(aminomethyl)phenyl]-5-methyl-1,3-diazinan-2-one?
The IUPAC name of 5-[4-(aminomethyl)phenyl]-5-methyl-1,3-diazinan-2-one (CID 105474478) is 5-[4-(aminomethyl)phenyl]-5-methyl-1,3-diazinan-2-one.
What is the SMILES notation for 5-[4-(aminomethyl)phenyl]-5-methyl-1,3-diazinan-2-one?
The canonical SMILES for 5-[4-(aminomethyl)phenyl]-5-methyl-1,3-diazinan-2-one is CC1(c2ccc(CN)cc2)CNC(=O)NC1.
What is the InChIKey of 5-[4-(aminomethyl)phenyl]-5-methyl-1,3-diazinan-2-one?
The InChIKey is ZHJVDWYLGHZULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-12(7-14-11(16)15-8-12)10-4-2-9(6-13)3-5-10/h2-5H,6-8,13H2,1H3,(H2,14,15,16).
What are the key properties of 5-[4-(aminomethyl)phenyl]-5-methyl-1,3-diazinan-2-one?
5-[4-(aminomethyl)phenyl]-5-methyl-1,3-diazinan-2-one has a molecular weight of 219.29 g/mol, XLogP of 0.72, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(aminomethyl)phenyl]-5-methyl-1,3-diazinan-2-one is sourced from PubChem (CID 105474478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).