2-(benzylamino)-N,N,2-trimethylpropanamide;hydrochloride

C13H21ClN2O — CID 115618466

IUPAC2-(benzylamino)-N,N,2-trimethylpropanamide;hydrochloride
SMILESCN(C)C(=O)C(C)(C)NCc1ccccc1.Cl
InChIInChI=1S/C13H20N2O.ClH/c1-13(2,12(16)15(3)4)14-10-11-8-6-5-7-9-11;/h5-9,14H,10H2,1-4H3;1H
InChIKeyOLIXFIOOWDOUKE-UHFFFAOYSA-N
MW256.78 g/mol
LogP2.06
Rot. Bonds4

About 2-(benzylamino)-N,N,2-trimethylpropanamide;hydrochloride

2-(benzylamino)-N,N,2-trimethylpropanamide;hydrochloride (PubChem CID 115618466) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is 2-(benzylamino)-N,N,2-trimethylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-(benzylamino)-N,N,2-trimethylpropanamide;hydrochloride
PubChem CID115618466
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name2-(benzylamino)-N,N,2-trimethylpropanamide;hydrochloride
SMILESCN(C)C(=O)C(C)(C)NCc1ccccc1.Cl
InChIInChI=1S/C13H20N2O.ClH/c1-13(2,12(16)15(3)4)14-10-11-8-6-5-7-9-11;/h5-9,14H,10H2,1-4H3;1H
InChIKeyOLIXFIOOWDOUKE-UHFFFAOYSA-N
XLogP2.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(benzylamino)-2-methylpropanoate
CID 12707382
N,N,2-trimethyl-2-(thiophen-2-ylmethylamino)propanamide
CID 115618443
2-methyl-2-[(4-phenylphenyl)methylamino]propanoic acid
CID 65265422
2-[(5-bromothiophen-2-yl)methylamino]-N,N,2-trimethylpropanamide;hydrochloride
CID 115618450
N-benzyl-N,2-dimethyl-2-(methylamino)propanamide
CID 62834859
N-benzyl-2-methylpropan-2-amine;guanidine
CID 161475592
N,2-dimethyl-2-(methylamino)-N-(2-phenylethyl)propanamide
CID 62846352
N,N,2,2-tetramethyl-7-phenylheptanamide
CID 142211557
N-benzyl-2-methyl-2-(methylamino)propanamide
CID 62834477
3-benzyl-1-hydroxy-1-methylurea
CID 22900753
4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]benzoic acid;hydrochloride
CID 17157155
2-(benzylamino)-2-methylheptanoic acid
CID 80557654

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-N,N,2-trimethylpropanamide;hydrochloride?
The IUPAC name of 2-(benzylamino)-N,N,2-trimethylpropanamide;hydrochloride (CID 115618466) is 2-(benzylamino)-N,N,2-trimethylpropanamide;hydrochloride.
What is the SMILES notation for 2-(benzylamino)-N,N,2-trimethylpropanamide;hydrochloride?
The canonical SMILES for 2-(benzylamino)-N,N,2-trimethylpropanamide;hydrochloride is CN(C)C(=O)C(C)(C)NCc1ccccc1.Cl.
What is the InChIKey of 2-(benzylamino)-N,N,2-trimethylpropanamide;hydrochloride?
The InChIKey is OLIXFIOOWDOUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O.ClH/c1-13(2,12(16)15(3)4)14-10-11-8-6-5-7-9-11;/h5-9,14H,10H2,1-4H3;1H.
What are the key properties of 2-(benzylamino)-N,N,2-trimethylpropanamide;hydrochloride?
2-(benzylamino)-N,N,2-trimethylpropanamide;hydrochloride has a molecular weight of 256.78 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-N,N,2-trimethylpropanamide;hydrochloride is sourced from PubChem (CID 115618466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).