3-[(1-amino-2-methylpropylidene)amino]benzamide

C11H15N3O — CID 107811864

IUPAC3-[(1-amino-2-methylpropylidene)amino]benzamide
SMILESCC(C)/C(N)=N\c1cccc(C(N)=O)c1
InChIInChI=1S/C11H15N3O/c1-7(2)10(12)14-9-5-3-4-8(6-9)11(13)15/h3-7H,1-2H3,(H2,12,14)(H2,13,15)
InChIKeyNSSRBAHQGPJGAR-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.43
Rot. Bonds3

About 3-[(1-amino-2-methylpropylidene)amino]benzamide

3-[(1-amino-2-methylpropylidene)amino]benzamide (PubChem CID 107811864) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-[(1-amino-2-methylpropylidene)amino]benzamide.

Molecular Properties

Compound Name3-[(1-amino-2-methylpropylidene)amino]benzamide
PubChem CID107811864
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name3-[(1-amino-2-methylpropylidene)amino]benzamide
SMILESCC(C)/C(N)=N\c1cccc(C(N)=O)c1
InChIInChI=1S/C11H15N3O/c1-7(2)10(12)14-9-5-3-4-8(6-9)11(13)15/h3-7H,1-2H3,(H2,12,14)(H2,13,15)
InChIKeyNSSRBAHQGPJGAR-UHFFFAOYSA-N
XLogP1.43
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.43
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

4-[(1-amino-2-methylpropylidene)amino]benzamide
CID 63173897
2-methyl-N'-[3-(trifluoromethyl)phenyl]propanimidamide
CID 58663964
3-(1-aminoethylideneamino)benzoic acid
CID 10775025
3-[[amino(cyclopentyl)methylidene]amino]benzamide
CID 107811862
3-methylbenzamide;2-methylpropane
CID 160767336
3-(2-methylpropyl)benzamide
CID 23130390
3-[(N'-propan-2-ylcarbamimidoyl)amino]benzamide
CID 107811857
(3-carbamoylphenyl)-methylborinic acid
CID 142939435
2-[3-[4-(diaminomethylideneamino)benzoyl]phenyl]guanidine
CID 90644413
benzamide;2,3-dimethylbutane
CID 162214835
3-carbamoylbenzoic acid
CID 3014284
3-(methylamino)benzamide
CID 18727714

Frequently Asked Questions

What is the IUPAC name of 3-[(1-amino-2-methylpropylidene)amino]benzamide?
The IUPAC name of 3-[(1-amino-2-methylpropylidene)amino]benzamide (CID 107811864) is 3-[(1-amino-2-methylpropylidene)amino]benzamide.
What is the SMILES notation for 3-[(1-amino-2-methylpropylidene)amino]benzamide?
The canonical SMILES for 3-[(1-amino-2-methylpropylidene)amino]benzamide is CC(C)/C(N)=N\c1cccc(C(N)=O)c1.
What is the InChIKey of 3-[(1-amino-2-methylpropylidene)amino]benzamide?
The InChIKey is NSSRBAHQGPJGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-7(2)10(12)14-9-5-3-4-8(6-9)11(13)15/h3-7H,1-2H3,(H2,12,14)(H2,13,15).
What are the key properties of 3-[(1-amino-2-methylpropylidene)amino]benzamide?
3-[(1-amino-2-methylpropylidene)amino]benzamide has a molecular weight of 205.26 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-amino-2-methylpropylidene)amino]benzamide is sourced from PubChem (CID 107811864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).