3-amino-N-(cyclopropylmethyl)-N-methylbenzamide

C12H16N2O — CID 60947602

IUPAC3-amino-N-(cyclopropylmethyl)-N-methylbenzamide
SMILESCN(CC1CC1)C(=O)c1cccc(N)c1
InChIInChI=1S/C12H16N2O/c1-14(8-9-5-6-9)12(15)10-3-2-4-11(13)7-10/h2-4,7,9H,5-6,8,13H2,1H3
InChIKeyOWXYVWKCRSTKSS-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.75
Rot. Bonds3

About 3-amino-N-(cyclopropylmethyl)-N-methylbenzamide

3-amino-N-(cyclopropylmethyl)-N-methylbenzamide (PubChem CID 60947602) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-amino-N-(cyclopropylmethyl)-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(cyclopropylmethyl)-N-methylbenzamide
PubChem CID60947602
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name3-amino-N-(cyclopropylmethyl)-N-methylbenzamide
SMILESCN(CC1CC1)C(=O)c1cccc(N)c1
InChIInChI=1S/C12H16N2O/c1-14(8-9-5-6-9)12(15)10-3-2-4-11(13)7-10/h2-4,7,9H,5-6,8,13H2,1H3
InChIKeyOWXYVWKCRSTKSS-UHFFFAOYSA-N
XLogP1.75
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.75
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

3-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 63879392
3-amino-N-(2-cyclohexylethyl)-N-methylbenzamide
CID 115160809
3-amino-N-methyl-N-propylbenzamide
CID 43270761
N-(cyclobutylmethyl)-N-methyl-3-(methylamino)benzamide
CID 115160920
3-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)benzamide;hydrochloride
CID 119799547
2-amino-N-(cyclopropylmethyl)-N-methyl-1,3-benzothiazole-6-carboxamide
CID 65349726
3-amino-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide
CID 54906216
N-(cyclopropylmethyl)-3-hydroxy-4-iodo-N-methylbenzamide
CID 104627771
4-amino-N-methyl-N-(oxan-4-ylmethyl)benzamide
CID 63725878
4-bromo-N-(cyclopropylmethyl)-N,3-dimethylbenzamide
CID 115770194
5-amino-N-(cyclopropylmethyl)-N,2-dimethylbenzamide;hydrochloride
CID 120624156
4-amino-N-(cyclobutylmethyl)-3-fluoro-N-methylbenzamide
CID 62862148

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(cyclopropylmethyl)-N-methylbenzamide?
The IUPAC name of 3-amino-N-(cyclopropylmethyl)-N-methylbenzamide (CID 60947602) is 3-amino-N-(cyclopropylmethyl)-N-methylbenzamide.
What is the SMILES notation for 3-amino-N-(cyclopropylmethyl)-N-methylbenzamide?
The canonical SMILES for 3-amino-N-(cyclopropylmethyl)-N-methylbenzamide is CN(CC1CC1)C(=O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N-(cyclopropylmethyl)-N-methylbenzamide?
The InChIKey is OWXYVWKCRSTKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-14(8-9-5-6-9)12(15)10-3-2-4-11(13)7-10/h2-4,7,9H,5-6,8,13H2,1H3.
What are the key properties of 3-amino-N-(cyclopropylmethyl)-N-methylbenzamide?
3-amino-N-(cyclopropylmethyl)-N-methylbenzamide has a molecular weight of 204.27 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(cyclopropylmethyl)-N-methylbenzamide is sourced from PubChem (CID 60947602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).