2-amino-N-cyclopropyl-N,3-dimethylbenzamide

C12H16N2O — CID 43264479

IUPAC2-amino-N-cyclopropyl-N,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(C)C2CC2)c1N
InChIInChI=1S/C12H16N2O/c1-8-4-3-5-10(11(8)13)12(15)14(2)9-6-7-9/h3-5,9H,6-7,13H2,1-2H3
InChIKeyLBUPZKUCSGWOCM-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.81
Rot. Bonds2

About 2-amino-N-cyclopropyl-N,3-dimethylbenzamide

2-amino-N-cyclopropyl-N,3-dimethylbenzamide (PubChem CID 43264479) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-amino-N-cyclopropyl-N,3-dimethylbenzamide.

Molecular Properties

Compound Name2-amino-N-cyclopropyl-N,3-dimethylbenzamide
PubChem CID43264479
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-amino-N-cyclopropyl-N,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(C)C2CC2)c1N
InChIInChI=1S/C12H16N2O/c1-8-4-3-5-10(11(8)13)12(15)14(2)9-6-7-9/h3-5,9H,6-7,13H2,1-2H3
InChIKeyLBUPZKUCSGWOCM-UHFFFAOYSA-N
XLogP1.81
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-aminocyclohexyl)-2-fluoro-N,3-dimethylbenzamide
CID 81480735
2-amino-N-cyclopropyl-3-methyl-N-propylbenzamide
CID 43269918
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylbenzamide
CID 62060153
2-amino-3-bromo-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 110451168
2-amino-N-cyclobutyl-N-methylbenzamide
CID 115747527
2-amino-N-cyclopentyl-3-methyl-N-prop-2-enylbenzamide
CID 61108767
3-amino-N-cyclohexyl-2-hydroxy-N-methylbenzamide
CID 58736495
N-cyclopropyl-3-fluoro-2-hydrazinyl-N-methylbenzamide
CID 62662193
2-amino-N-[(4-ethylphenyl)methyl]-N,3-dimethylbenzamide
CID 43401472
2-amino-3-chloro-N-methyl-N-(3-methylcyclohexyl)benzamide
CID 115540492
N-cyclopropyl-4-fluoro-N,2-dimethylbenzamide
CID 115745650
N-cyclopropyl-4-hydroxy-N,2-dimethylbenzamide
CID 103863729

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopropyl-N,3-dimethylbenzamide?
The IUPAC name of 2-amino-N-cyclopropyl-N,3-dimethylbenzamide (CID 43264479) is 2-amino-N-cyclopropyl-N,3-dimethylbenzamide.
What is the SMILES notation for 2-amino-N-cyclopropyl-N,3-dimethylbenzamide?
The canonical SMILES for 2-amino-N-cyclopropyl-N,3-dimethylbenzamide is Cc1cccc(C(=O)N(C)C2CC2)c1N.
What is the InChIKey of 2-amino-N-cyclopropyl-N,3-dimethylbenzamide?
The InChIKey is LBUPZKUCSGWOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-8-4-3-5-10(11(8)13)12(15)14(2)9-6-7-9/h3-5,9H,6-7,13H2,1-2H3.
What are the key properties of 2-amino-N-cyclopropyl-N,3-dimethylbenzamide?
2-amino-N-cyclopropyl-N,3-dimethylbenzamide has a molecular weight of 204.27 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclopropyl-N,3-dimethylbenzamide is sourced from PubChem (CID 43264479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).