3,5-diamino-N-methyl-N-propan-2-ylbenzamide

C11H17N3O — CID 61089982

IUPAC3,5-diamino-N-methyl-N-propan-2-ylbenzamide
SMILESCC(C)N(C)C(=O)c1cc(N)cc(N)c1
InChIInChI=1S/C11H17N3O/c1-7(2)14(3)11(15)8-4-9(12)6-10(13)5-8/h4-7H,12-13H2,1-3H3
InChIKeyIDINAUOBOFLPMU-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.33
Rot. Bonds2

About 3,5-diamino-N-methyl-N-propan-2-ylbenzamide

3,5-diamino-N-methyl-N-propan-2-ylbenzamide (PubChem CID 61089982) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3,5-diamino-N-methyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3,5-diamino-N-methyl-N-propan-2-ylbenzamide
PubChem CID61089982
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3,5-diamino-N-methyl-N-propan-2-ylbenzamide
SMILESCC(C)N(C)C(=O)c1cc(N)cc(N)c1
InChIInChI=1S/C11H17N3O/c1-7(2)14(3)11(15)8-4-9(12)6-10(13)5-8/h4-7H,12-13H2,1-3H3
InChIKeyIDINAUOBOFLPMU-UHFFFAOYSA-N
XLogP1.33
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-diamino-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61114053
3,5-diamino-N-[1-(4-fluorophenyl)ethyl]-N-methylbenzamide
CID 61111115
3,5-dimethoxy-N-methyl-N-propan-2-ylbenzamide
CID 86920278
3-amino-5-bromo-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 104550883
3,5-difluoro-4-hydrazinyl-N-methyl-N-propan-2-ylbenzamide
CID 63186596
3,5-diamino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzamide
CID 61116865
4,5,6-trihydroxy-N-methyl-3-oxo-N-propan-2-ylcyclohepta-1,4,6-triene-1-carboxamide
CID 177386090
6-amino-N-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 62154358
3,5-diamino-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 63694073
3,5-diamino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 106913842
N,3-dimethyl-N-propan-2-ylbenzamide
CID 91322011
3,5-diamino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-N-methylbenzamide
CID 147585927

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-methyl-N-propan-2-ylbenzamide?
The IUPAC name of 3,5-diamino-N-methyl-N-propan-2-ylbenzamide (CID 61089982) is 3,5-diamino-N-methyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 3,5-diamino-N-methyl-N-propan-2-ylbenzamide?
The canonical SMILES for 3,5-diamino-N-methyl-N-propan-2-ylbenzamide is CC(C)N(C)C(=O)c1cc(N)cc(N)c1.
What is the InChIKey of 3,5-diamino-N-methyl-N-propan-2-ylbenzamide?
The InChIKey is IDINAUOBOFLPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-7(2)14(3)11(15)8-4-9(12)6-10(13)5-8/h4-7H,12-13H2,1-3H3.
What are the key properties of 3,5-diamino-N-methyl-N-propan-2-ylbenzamide?
3,5-diamino-N-methyl-N-propan-2-ylbenzamide has a molecular weight of 207.28 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 61089982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).