2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-benzyl-N-methylacetamide;hydrochloride

C16H28ClN3O — CID 119928823

IUPAC2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-benzyl-N-methylacetamide;hydrochloride
SMILESCN(CC(=O)N(C)Cc1ccccc1)CC(C)(C)CN.Cl
InChIInChI=1S/C16H27N3O.ClH/c1-16(2,12-17)13-18(3)11-15(20)19(4)10-14-8-6-5-7-9-14;/h5-9H,10-13,17H2,1-4H3;1H
InChIKeyLALYQTUHZKIEFC-UHFFFAOYSA-N
MW313.87 g/mol
LogP1.98
Rot. Bonds7

About 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-benzyl-N-methylacetamide;hydrochloride

2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-benzyl-N-methylacetamide;hydrochloride (PubChem CID 119928823) has the molecular formula C16H28ClN3O and a molecular weight of 313.87 g/mol. Its IUPAC name is 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-benzyl-N-methylacetamide;hydrochloride.

Molecular Properties

Compound Name2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-benzyl-N-methylacetamide;hydrochloride
PubChem CID119928823
Molecular FormulaC16H28ClN3O
Molecular Weight313.87 g/mol
Exact Mass313.19
IUPAC Name2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-benzyl-N-methylacetamide;hydrochloride
SMILESCN(CC(=O)N(C)Cc1ccccc1)CC(C)(C)CN.Cl
InChIInChI=1S/C16H27N3O.ClH/c1-16(2,12-17)13-18(3)11-15(20)19(4)10-14-8-6-5-7-9-14;/h5-9H,10-13,17H2,1-4H3;1H
InChIKeyLALYQTUHZKIEFC-UHFFFAOYSA-N
XLogP1.98
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.87
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-benzyl-N-methylacetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-benzyl-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
CID 119928986
N'-benzyl-N',2,2-trimethylpropane-1,3-diamine
CID 62262842
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 79652724
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-ethyl-N-methylacetamide
CID 79652071
N',2,2-trimethyl-N'-(2-phenylethyl)propane-1,3-diamine;hydrochloride
CID 119928998
3-amino-N-benzyl-N,3-dimethylbutanamide
CID 64684536
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenylmethoxyacetamide;hydrochloride
CID 119654426
N-[2-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride
CID 119653013
N-benzyl-2-[5-hydroxypentyl(methyl)amino]-N-methylacetamide
CID 107204340
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenylmethoxyacetamide
CID 119654427
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenoxyacetamide;hydrochloride
CID 119652959

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-benzyl-N-methylacetamide;hydrochloride?
The IUPAC name of 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-benzyl-N-methylacetamide;hydrochloride (CID 119928823) is 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-benzyl-N-methylacetamide;hydrochloride.
What is the SMILES notation for 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-benzyl-N-methylacetamide;hydrochloride?
The canonical SMILES for 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-benzyl-N-methylacetamide;hydrochloride is CN(CC(=O)N(C)Cc1ccccc1)CC(C)(C)CN.Cl.
What is the InChIKey of 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-benzyl-N-methylacetamide;hydrochloride?
The InChIKey is LALYQTUHZKIEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O.ClH/c1-16(2,12-17)13-18(3)11-15(20)19(4)10-14-8-6-5-7-9-14;/h5-9H,10-13,17H2,1-4H3;1H.
What are the key properties of 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-benzyl-N-methylacetamide;hydrochloride?
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-benzyl-N-methylacetamide;hydrochloride has a molecular weight of 313.87 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-benzyl-N-methylacetamide;hydrochloride is sourced from PubChem (CID 119928823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).