5-amino-N-(cyclopropylmethyl)-N,2-dimethylbenzamide;hydrochloride

C13H19ClN2O — CID 120624156

IUPAC5-amino-N-(cyclopropylmethyl)-N,2-dimethylbenzamide;hydrochloride
SMILESCc1ccc(N)cc1C(=O)N(C)CC1CC1.Cl
InChIInChI=1S/C13H18N2O.ClH/c1-9-3-6-11(14)7-12(9)13(16)15(2)8-10-4-5-10;/h3,6-7,10H,4-5,8,14H2,1-2H3;1H
InChIKeyQNSBHFXJFPNPRL-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.48
Rot. Bonds3

About 5-amino-N-(cyclopropylmethyl)-N,2-dimethylbenzamide;hydrochloride

5-amino-N-(cyclopropylmethyl)-N,2-dimethylbenzamide;hydrochloride (PubChem CID 120624156) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 5-amino-N-(cyclopropylmethyl)-N,2-dimethylbenzamide;hydrochloride.

Molecular Properties

Compound Name5-amino-N-(cyclopropylmethyl)-N,2-dimethylbenzamide;hydrochloride
PubChem CID120624156
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name5-amino-N-(cyclopropylmethyl)-N,2-dimethylbenzamide;hydrochloride
SMILESCc1ccc(N)cc1C(=O)N(C)CC1CC1.Cl
InChIInChI=1S/C13H18N2O.ClH/c1-9-3-6-11(14)7-12(9)13(16)15(2)8-10-4-5-10;/h3,6-7,10H,4-5,8,14H2,1-2H3;1H
InChIKeyQNSBHFXJFPNPRL-UHFFFAOYSA-N
XLogP2.48
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.48
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

5-amino-N-(cyclopentylmethyl)-N,2-dimethylbenzamide
CID 63632081
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CID 120643725
5-amino-N-(2-cyclohexylethyl)-N,2-dimethylbenzamide
CID 120629879
3-[cyclopropylmethyl(methyl)carbamoyl]-4-methylbenzenesulfonyl chloride
CID 61292517
5-amino-N-(cyclopropylmethyl)-2-methyl-N-(3,3,3-trifluoropropyl)benzamide;hydrochloride
CID 120638824
2,4-diamino-N-(cyclopentylmethyl)-N-methylbenzamide
CID 63632253
5-amino-N-(2,2-difluoroethyl)-N,2-dimethylbenzamide;hydrochloride
CID 120626074
5-amino-N,2-dimethyl-N-(2-methylsulfonylethyl)benzamide;hydrochloride
CID 120622618
5-bromo-N-(cyclohexylmethyl)-N,2-dimethylbenzamide
CID 65309509
5-amino-N-(dicyclopropylmethyl)-N,2-dimethylbenzamide;hydrochloride
CID 120628690
5-amino-N-(cyclobutylmethyl)-2-fluoro-N,3-dimethylbenzamide
CID 103296416
5-amino-N-(cyclohexylmethyl)-2-methyl-N-prop-2-enylbenzamide
CID 120632735

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(cyclopropylmethyl)-N,2-dimethylbenzamide;hydrochloride?
The IUPAC name of 5-amino-N-(cyclopropylmethyl)-N,2-dimethylbenzamide;hydrochloride (CID 120624156) is 5-amino-N-(cyclopropylmethyl)-N,2-dimethylbenzamide;hydrochloride.
What is the SMILES notation for 5-amino-N-(cyclopropylmethyl)-N,2-dimethylbenzamide;hydrochloride?
The canonical SMILES for 5-amino-N-(cyclopropylmethyl)-N,2-dimethylbenzamide;hydrochloride is Cc1ccc(N)cc1C(=O)N(C)CC1CC1.Cl.
What is the InChIKey of 5-amino-N-(cyclopropylmethyl)-N,2-dimethylbenzamide;hydrochloride?
The InChIKey is QNSBHFXJFPNPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O.ClH/c1-9-3-6-11(14)7-12(9)13(16)15(2)8-10-4-5-10;/h3,6-7,10H,4-5,8,14H2,1-2H3;1H.
What are the key properties of 5-amino-N-(cyclopropylmethyl)-N,2-dimethylbenzamide;hydrochloride?
5-amino-N-(cyclopropylmethyl)-N,2-dimethylbenzamide;hydrochloride has a molecular weight of 254.76 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(cyclopropylmethyl)-N,2-dimethylbenzamide;hydrochloride is sourced from PubChem (CID 120624156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).