N-(1-aminopropan-2-yl)-N,2,3-trimethylbenzamide

C13H20N2O — CID 115737352

IUPACN-(1-aminopropan-2-yl)-N,2,3-trimethylbenzamide
SMILESCc1cccc(C(=O)N(C)C(C)CN)c1C
InChIInChI=1S/C13H20N2O/c1-9-6-5-7-12(11(9)3)13(16)15(4)10(2)8-14/h5-7,10H,8,14H2,1-4H3
InChIKeyJJVAGHGMYOFLAR-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.72
Rot. Bonds3

About N-(1-aminopropan-2-yl)-N,2,3-trimethylbenzamide

N-(1-aminopropan-2-yl)-N,2,3-trimethylbenzamide (PubChem CID 115737352) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-N,2,3-trimethylbenzamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N,2,3-trimethylbenzamide
PubChem CID115737352
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-(1-aminopropan-2-yl)-N,2,3-trimethylbenzamide
SMILESCc1cccc(C(=O)N(C)C(C)CN)c1C
InChIInChI=1S/C13H20N2O/c1-9-6-5-7-12(11(9)3)13(16)15(4)10(2)8-14/h5-7,10H,8,14H2,1-4H3
InChIKeyJJVAGHGMYOFLAR-UHFFFAOYSA-N
XLogP1.72
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-bromopropan-2-yl)-N,2,3-trimethylbenzamide
CID 104556144
N-(1-cyanopropan-2-yl)-N,2,3-trimethylbenzamide
CID 63224492
N-(1-aminopropan-2-yl)-N-methylnaphthalene-1-carboxamide
CID 112701394
N-(1-aminopropan-2-yl)-N,3-dimethylpyridine-2-carboxamide
CID 82507395
N-(1-aminopropan-2-yl)-2-fluoro-N-methyl-3-(trifluoromethyl)benzamide
CID 112701403
N-(1-aminopropan-2-yl)-N,6-dimethylpyridine-2-carboxamide
CID 82507394
2-(aminomethyl)-1-(2,3-dimethylphenyl)pentan-1-one
CID 116574492
N-(1-aminopropan-2-yl)-N,3-dimethylbenzamide
CID 82507196
(2S)-2-amino-1-(2,3-dimethylphenyl)-3-methylbutan-1-one
CID 175812414
N,2-dimethyl-N-pentan-2-ylbenzamide
CID 71253300
2-hydroxy-N,3-dimethyl-N-pentan-2-ylbenzamide
CID 43430193
2-chloro-N-(1-hydroxypropan-2-yl)-N,3-dimethylbenzamide
CID 115869357

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N,2,3-trimethylbenzamide?
The IUPAC name of N-(1-aminopropan-2-yl)-N,2,3-trimethylbenzamide (CID 115737352) is N-(1-aminopropan-2-yl)-N,2,3-trimethylbenzamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N,2,3-trimethylbenzamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-N,2,3-trimethylbenzamide is Cc1cccc(C(=O)N(C)C(C)CN)c1C.
What is the InChIKey of N-(1-aminopropan-2-yl)-N,2,3-trimethylbenzamide?
The InChIKey is JJVAGHGMYOFLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9-6-5-7-12(11(9)3)13(16)15(4)10(2)8-14/h5-7,10H,8,14H2,1-4H3.
What are the key properties of N-(1-aminopropan-2-yl)-N,2,3-trimethylbenzamide?
N-(1-aminopropan-2-yl)-N,2,3-trimethylbenzamide has a molecular weight of 220.32 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-N,2,3-trimethylbenzamide is sourced from PubChem (CID 115737352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).