5-amino-2-(cyclopropylamino)-N-methylbenzamide

C11H15N3O — CID 100639685

IUPAC5-amino-2-(cyclopropylamino)-N-methylbenzamide
SMILESCNC(=O)c1cc(N)ccc1NC1CC1
InChIInChI=1S/C11H15N3O/c1-13-11(15)9-6-7(12)2-5-10(9)14-8-3-4-8/h2,5-6,8,14H,3-4,12H2,1H3,(H,13,15)
InChIKeyGAFUJBTVAPUPEH-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.20
Rot. Bonds3

About 5-amino-2-(cyclopropylamino)-N-methylbenzamide

5-amino-2-(cyclopropylamino)-N-methylbenzamide (PubChem CID 100639685) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 5-amino-2-(cyclopropylamino)-N-methylbenzamide.

Molecular Properties

Compound Name5-amino-2-(cyclopropylamino)-N-methylbenzamide
PubChem CID100639685
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name5-amino-2-(cyclopropylamino)-N-methylbenzamide
SMILESCNC(=O)c1cc(N)ccc1NC1CC1
InChIInChI=1S/C11H15N3O/c1-13-11(15)9-6-7(12)2-5-10(9)14-8-3-4-8/h2,5-6,8,14H,3-4,12H2,1H3,(H,13,15)
InChIKeyGAFUJBTVAPUPEH-UHFFFAOYSA-N
XLogP1.20
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-(cyclooctylamino)-N-methylbenzamide
CID 100655350
5-amino-2-(cyclooctylamino)-N-propan-2-ylbenzamide
CID 100655389
5-amino-2-[(4-ethylcyclohexyl)amino]benzamide
CID 61468335
5-amino-2-(ethylamino)-N-methylbenzamide
CID 100637917
5-amino-2-[(3-methylcyclopentyl)amino]benzamide
CID 114550804
5-amino-2-(cyclooctylamino)-N-(2-methoxyethyl)benzamide
CID 100655411
methyl 5-amino-2-(oxan-4-ylamino)benzoate
CID 61305371
ethyl 5-amino-2-(cyclobutylamino)benzoate
CID 62413866
5-amino-2-(tert-butylamino)-N-cyclopropylbenzamide
CID 100639323
methyl 5-amino-2-[(1,1-dioxothian-4-yl)amino]benzoate
CID 61307479
5-amino-N-methyl-2-[[(2R)-oxolan-2-yl]methylamino]benzamide
CID 100641777
4-amino-3-[(4-ethylcyclohexyl)amino]-N-methylbenzamide
CID 63357473

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(cyclopropylamino)-N-methylbenzamide?
The IUPAC name of 5-amino-2-(cyclopropylamino)-N-methylbenzamide (CID 100639685) is 5-amino-2-(cyclopropylamino)-N-methylbenzamide.
What is the SMILES notation for 5-amino-2-(cyclopropylamino)-N-methylbenzamide?
The canonical SMILES for 5-amino-2-(cyclopropylamino)-N-methylbenzamide is CNC(=O)c1cc(N)ccc1NC1CC1.
What is the InChIKey of 5-amino-2-(cyclopropylamino)-N-methylbenzamide?
The InChIKey is GAFUJBTVAPUPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-13-11(15)9-6-7(12)2-5-10(9)14-8-3-4-8/h2,5-6,8,14H,3-4,12H2,1H3,(H,13,15).
What are the key properties of 5-amino-2-(cyclopropylamino)-N-methylbenzamide?
5-amino-2-(cyclopropylamino)-N-methylbenzamide has a molecular weight of 205.26 g/mol, XLogP of 1.20, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(cyclopropylamino)-N-methylbenzamide is sourced from PubChem (CID 100639685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).