N-(3-amino-2,2-dimethylpropyl)-2-(diethylamino)-N-methylacetamide

C12H27N3O — CID 119652831

IUPACN-(3-amino-2,2-dimethylpropyl)-2-(diethylamino)-N-methylacetamide
SMILESCCN(CC)CC(=O)N(C)CC(C)(C)CN
InChIInChI=1S/C12H27N3O/c1-6-15(7-2)8-11(16)14(5)10-12(3,4)9-13/h6-10,13H2,1-5H3
InChIKeyBNPXAXRZAMCSBG-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.77
Rot. Bonds7

About N-(3-amino-2,2-dimethylpropyl)-2-(diethylamino)-N-methylacetamide

N-(3-amino-2,2-dimethylpropyl)-2-(diethylamino)-N-methylacetamide (PubChem CID 119652831) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-2-(diethylamino)-N-methylacetamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-2-(diethylamino)-N-methylacetamide
PubChem CID119652831
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-2-(diethylamino)-N-methylacetamide
SMILESCCN(CC)CC(=O)N(C)CC(C)(C)CN
InChIInChI=1S/C12H27N3O/c1-6-15(7-2)8-11(16)14(5)10-12(3,4)9-13/h6-10,13H2,1-5H3
InChIKeyBNPXAXRZAMCSBG-UHFFFAOYSA-N
XLogP0.77
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-ethyl-N-methylacetamide
CID 79652071
N-(3-amino-2,2-dimethylpropyl)-2-[ethylsulfonyl(methyl)amino]-N-methylacetamide
CID 119654183
2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-cyanoethyl)-N-methylacetamide
CID 79661823
1-(3-amino-2,2-dimethylpropyl)-1,3,3-trimethylurea
CID 79652129
N-(3-amino-2,2-dimethylpropyl)-N,3-dimethylbutanamide
CID 79652395
N-(3-amino-2,2-dimethylpropyl)-N-methyldodecanamide
CID 79646027
N-(3-amino-2,2-dimethylpropyl)-N-methylnonanamide
CID 79652123
N-(3-amino-2,2-dimethylpropyl)-N-methylbut-3-enamide
CID 79653171
N-(3-amino-2,2-dimethylpropyl)-2-cyclobutyl-N-methylacetamide
CID 103807677
N-(3-amino-2,2-dimethylpropyl)-N,5-dimethylhexanamide
CID 115272569
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-propan-2-yloxyacetamide;hydrochloride
CID 119655780
N-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethylhexanamide;hydrochloride
CID 119655813

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-(diethylamino)-N-methylacetamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-(diethylamino)-N-methylacetamide (CID 119652831) is N-(3-amino-2,2-dimethylpropyl)-2-(diethylamino)-N-methylacetamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-2-(diethylamino)-N-methylacetamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-2-(diethylamino)-N-methylacetamide is CCN(CC)CC(=O)N(C)CC(C)(C)CN.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-2-(diethylamino)-N-methylacetamide?
The InChIKey is BNPXAXRZAMCSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-6-15(7-2)8-11(16)14(5)10-12(3,4)9-13/h6-10,13H2,1-5H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-2-(diethylamino)-N-methylacetamide?
N-(3-amino-2,2-dimethylpropyl)-2-(diethylamino)-N-methylacetamide has a molecular weight of 229.37 g/mol, XLogP of 0.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-2-(diethylamino)-N-methylacetamide is sourced from PubChem (CID 119652831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).