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

C13H19N3O — CID 105493253

IUPAC1-[2-(aminomethyl)phenyl]-4,4-dimethyl-1,3-diazinan-2-one
SMILESCC1(C)CCN(c2ccccc2CN)C(=O)N1
InChIInChI=1S/C13H19N3O/c1-13(2)7-8-16(12(17)15-13)11-6-4-3-5-10(11)9-14/h3-6H,7-9,14H2,1-2H3,(H,15,17)
InChIKeyNXHHQOZDVMGQSM-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.84
Rot. Bonds2

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

1-[2-(aminomethyl)phenyl]-4,4-dimethyl-1,3-diazinan-2-one (PubChem CID 105493253) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[2-(aminomethyl)phenyl]-4,4-dimethyl-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[2-(aminomethyl)phenyl]-4,4-dimethyl-1,3-diazinan-2-one
PubChem CID105493253
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-[2-(aminomethyl)phenyl]-4,4-dimethyl-1,3-diazinan-2-one
SMILESCC1(C)CCN(c2ccccc2CN)C(=O)N1
InChIInChI=1S/C13H19N3O/c1-13(2)7-8-16(12(17)15-13)11-6-4-3-5-10(11)9-14/h3-6H,7-9,14H2,1-2H3,(H,15,17)
InChIKeyNXHHQOZDVMGQSM-UHFFFAOYSA-N
XLogP1.84
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-aminophenyl)-4,4-dimethyl-1,3-diazinan-2-one
CID 105474458
1-(2-aminophenyl)-4,4-dimethylimidazolidin-2-one
CID 105457673
3-[2-(aminomethyl)phenyl]-6-methyl-1,3-oxazinan-2-one
CID 105475751
4-[2-(aminomethyl)phenyl]-3-methylpiperazine-2,6-dione
CID 66061098
4-[2-(aminomethyl)phenyl]-1,4-dimethyl-1,3-diazinan-2-one
CID 105493247
3-[2-(aminomethyl)phenyl]-5-methyl-1,3-oxazolidin-2-one
CID 105458799
1-[2-(2-aminoethyl)phenyl]-3-methylimidazolidin-2-one
CID 83822158
1-[2-(aminomethyl)phenyl]-4-hydroxypyrrolidin-2-one
CID 168703041
1-[2-(aminomethyl)phenyl]pyrrolidin-3-one
CID 115018241
6-[2-(aminomethyl)phenyl]-3,6-dimethyl-1,3-oxazinan-2-one
CID 105494508
(2-piperazin-1-ylphenyl)methanamine;hydrochloride
CID 174363608
[2-[(2S)-2-methylpiperidin-1-yl]phenyl]methanamine
CID 26871970

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)phenyl]-4,4-dimethyl-1,3-diazinan-2-one?
The IUPAC name of 1-[2-(aminomethyl)phenyl]-4,4-dimethyl-1,3-diazinan-2-one (CID 105493253) is 1-[2-(aminomethyl)phenyl]-4,4-dimethyl-1,3-diazinan-2-one.
What is the SMILES notation for 1-[2-(aminomethyl)phenyl]-4,4-dimethyl-1,3-diazinan-2-one?
The canonical SMILES for 1-[2-(aminomethyl)phenyl]-4,4-dimethyl-1,3-diazinan-2-one is CC1(C)CCN(c2ccccc2CN)C(=O)N1.
What is the InChIKey of 1-[2-(aminomethyl)phenyl]-4,4-dimethyl-1,3-diazinan-2-one?
The InChIKey is NXHHQOZDVMGQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-13(2)7-8-16(12(17)15-13)11-6-4-3-5-10(11)9-14/h3-6H,7-9,14H2,1-2H3,(H,15,17).
What are the key properties of 1-[2-(aminomethyl)phenyl]-4,4-dimethyl-1,3-diazinan-2-one?
1-[2-(aminomethyl)phenyl]-4,4-dimethyl-1,3-diazinan-2-one has a molecular weight of 233.31 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)phenyl]-4,4-dimethyl-1,3-diazinan-2-one is sourced from PubChem (CID 105493253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).