2-amino-N-(2,6-dimethylphenyl)-2-iminoacetamide

C10H13N3O — CID 57023460

IUPAC2-amino-N-(2,6-dimethylphenyl)-2-iminoacetamide
SMILES[H]/N=C(\N)C(=O)Nc1c(C)cccc1C
InChIInChI=1S/C10H13N3O/c1-6-4-3-5-7(2)8(6)13-10(14)9(11)12/h3-5H,1-2H3,(H3,11,12)(H,13,14)
InChIKeyNBUBUWIMXYAVSM-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.18
Rot. Bonds1

About 2-amino-N-(2,6-dimethylphenyl)-2-iminoacetamide

2-amino-N-(2,6-dimethylphenyl)-2-iminoacetamide (PubChem CID 57023460) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-amino-N-(2,6-dimethylphenyl)-2-iminoacetamide.

Molecular Properties

Compound Name2-amino-N-(2,6-dimethylphenyl)-2-iminoacetamide
PubChem CID57023460
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name2-amino-N-(2,6-dimethylphenyl)-2-iminoacetamide
SMILES[H]/N=C(\N)C(=O)Nc1c(C)cccc1C
InChIInChI=1S/C10H13N3O/c1-6-4-3-5-7(2)8(6)13-10(14)9(11)12/h3-5H,1-2H3,(H3,11,12)(H,13,14)
InChIKeyNBUBUWIMXYAVSM-UHFFFAOYSA-N
XLogP1.18
TPSA78.97 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.18
H-Bond Donors ≤ 53
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'-bis(2,6-dimethylphenyl)oxamide
CID 3764178
(2E)-N-(2,6-dimethylphenyl)-2-hydroxyiminopropanamide
CID 176944148
N-(2,6-dimethylphenyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 108512317
N,3-bis(2,6-dimethylphenyl)-2-oxopropanamide
CID 158625322
(1Z)-2-amino-N-[2-[(2,6-dimethylphenyl)carbamoyl]anilino]-2-iminoethanimidoyl cyanide
CID 172976713
1-(diaminomethylidene)-3-(2,6-dimethylphenyl)urea;hydrochloride
CID 3052078
1-carbamimidoyl-3-(2-chloro-6-methylphenyl)-1-methylurea
CID 20543686
N-(2,6-dimethylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43333180
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
N-(4-chlorophenyl)-N'-(2,6-dimethylphenyl)oxamide
CID 108516687
N'-(2,6-dimethylphenyl)-N-(4-sulfamoylphenyl)oxamide
CID 108508841
N-(2-amino-5-methylphenyl)-N'-(2,6-dimethylphenyl)oxamide
CID 108532425

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,6-dimethylphenyl)-2-iminoacetamide?
The IUPAC name of 2-amino-N-(2,6-dimethylphenyl)-2-iminoacetamide (CID 57023460) is 2-amino-N-(2,6-dimethylphenyl)-2-iminoacetamide.
What is the SMILES notation for 2-amino-N-(2,6-dimethylphenyl)-2-iminoacetamide?
The canonical SMILES for 2-amino-N-(2,6-dimethylphenyl)-2-iminoacetamide is [H]/N=C(\N)C(=O)Nc1c(C)cccc1C.
What is the InChIKey of 2-amino-N-(2,6-dimethylphenyl)-2-iminoacetamide?
The InChIKey is NBUBUWIMXYAVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-6-4-3-5-7(2)8(6)13-10(14)9(11)12/h3-5H,1-2H3,(H3,11,12)(H,13,14).
What are the key properties of 2-amino-N-(2,6-dimethylphenyl)-2-iminoacetamide?
2-amino-N-(2,6-dimethylphenyl)-2-iminoacetamide has a molecular weight of 191.23 g/mol, XLogP of 1.18, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,6-dimethylphenyl)-2-iminoacetamide is sourced from PubChem (CID 57023460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).