3-amino-N-benzyl-3-imino-N-methylpropanamide

C11H15N3O — CID 99990430

IUPAC3-amino-N-benzyl-3-imino-N-methylpropanamide
SMILES[H]/N=C(\N)CC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C11H15N3O/c1-14(11(15)7-10(12)13)8-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H3,12,13)
InChIKeyBOKAYAZUVWTXRW-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.97
Rot. Bonds4

About 3-amino-N-benzyl-3-imino-N-methylpropanamide

3-amino-N-benzyl-3-imino-N-methylpropanamide (PubChem CID 99990430) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-amino-N-benzyl-3-imino-N-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-benzyl-3-imino-N-methylpropanamide
PubChem CID99990430
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name3-amino-N-benzyl-3-imino-N-methylpropanamide
SMILES[H]/N=C(\N)CC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C11H15N3O/c1-14(11(15)7-10(12)13)8-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H3,12,13)
InChIKeyBOKAYAZUVWTXRW-UHFFFAOYSA-N
XLogP0.97
TPSA70.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
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3-amino-1-benzyl-1-methylurea
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3-amino-N-benzyl-N,3-dimethylbutanamide
CID 64684536
N-benzyl-N-methyl-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
CID 108944328
[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] carbamimidothioate
CID 36521631
N-benzyl-2-formamido-N-methylacetamide
CID 18618309
2-[2-(aminomethyl)phenyl]-N-benzyl-N-methylacetamide
CID 81317589
N-benzyl-N-methylpentanamide
CID 4629611
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-phenylacetate
CID 55319362
[2-[benzyl(methyl)amino]-2-oxoethyl] propanoate
CID 57155799
N-benzyl-N-methyl-4-(methylamino)butanamide
CID 60842037

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-benzyl-3-imino-N-methylpropanamide?
The IUPAC name of 3-amino-N-benzyl-3-imino-N-methylpropanamide (CID 99990430) is 3-amino-N-benzyl-3-imino-N-methylpropanamide.
What is the SMILES notation for 3-amino-N-benzyl-3-imino-N-methylpropanamide?
The canonical SMILES for 3-amino-N-benzyl-3-imino-N-methylpropanamide is [H]/N=C(\N)CC(=O)N(C)Cc1ccccc1.
What is the InChIKey of 3-amino-N-benzyl-3-imino-N-methylpropanamide?
The InChIKey is BOKAYAZUVWTXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-14(11(15)7-10(12)13)8-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H3,12,13).
What are the key properties of 3-amino-N-benzyl-3-imino-N-methylpropanamide?
3-amino-N-benzyl-3-imino-N-methylpropanamide has a molecular weight of 205.26 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-benzyl-3-imino-N-methylpropanamide is sourced from PubChem (CID 99990430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).