N-(diaminomethyl)-3,4-dimethylbenzamide

C10H15N3O — CID 154522714

IUPACN-(diaminomethyl)-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NC(N)N)cc1C
InChIInChI=1S/C10H15N3O/c1-6-3-4-8(5-7(6)2)9(14)13-10(11)12/h3-5,10H,11-12H2,1-2H3,(H,13,14)
InChIKeyLIZNVFKQZMKMHF-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.23
Rot. Bonds2

About N-(diaminomethyl)-3,4-dimethylbenzamide

N-(diaminomethyl)-3,4-dimethylbenzamide (PubChem CID 154522714) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is N-(diaminomethyl)-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(diaminomethyl)-3,4-dimethylbenzamide
PubChem CID154522714
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC NameN-(diaminomethyl)-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NC(N)N)cc1C
InChIInChI=1S/C10H15N3O/c1-6-3-4-8(5-7(6)2)9(14)13-10(11)12/h3-5,10H,11-12H2,1-2H3,(H,13,14)
InChIKeyLIZNVFKQZMKMHF-UHFFFAOYSA-N
XLogP0.23
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(diaminomethyl)-3,4-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzhydryl-3,4-dimethylbenzamide
CID 1219840
3-[(3,4-dimethylbenzoyl)amino]butanoic acid
CID 18370046
(2S)-2-[(3,4-dimethylbenzoyl)amino]-3-methylbutanoic acid
CID 42255568
3,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 94195982
methyl (2R)-2-[(3,4-dimethylbenzoyl)amino]-4-methylpentanoate
CID 798268
N-(2-amino-2-phenylethyl)-3,4-dimethylbenzamide
CID 63120465
methyl (2S)-2-[(3,4-dimethylbenzoyl)amino]-4-methylpentanoate
CID 798267
N-[(2R)-1-methoxypropan-2-yl]-3,4-dimethylbenzamide
CID 5390617
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3,4-dimethylbenzamide
CID 64555861
3,4-dimethyl-N-(4-methylphenyl)benzamide
CID 3950718
2-[(3,4-dimethylbenzoyl)amino]-4-hydroxybutanoic acid
CID 61243816
N-(1-bromo-4-methylpentan-3-yl)-3,4-dimethylbenzamide
CID 106355347

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethyl)-3,4-dimethylbenzamide?
The IUPAC name of N-(diaminomethyl)-3,4-dimethylbenzamide (CID 154522714) is N-(diaminomethyl)-3,4-dimethylbenzamide.
What is the SMILES notation for N-(diaminomethyl)-3,4-dimethylbenzamide?
The canonical SMILES for N-(diaminomethyl)-3,4-dimethylbenzamide is Cc1ccc(C(=O)NC(N)N)cc1C.
What is the InChIKey of N-(diaminomethyl)-3,4-dimethylbenzamide?
The InChIKey is LIZNVFKQZMKMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-6-3-4-8(5-7(6)2)9(14)13-10(11)12/h3-5,10H,11-12H2,1-2H3,(H,13,14).
What are the key properties of N-(diaminomethyl)-3,4-dimethylbenzamide?
N-(diaminomethyl)-3,4-dimethylbenzamide has a molecular weight of 193.25 g/mol, XLogP of 0.23, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethyl)-3,4-dimethylbenzamide is sourced from PubChem (CID 154522714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).