N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-methylbutanamide

C12H26N2O — CID 79668143

IUPACN-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-methylbutanamide
SMILESCCN(CC(C)(C)CN)C(=O)CC(C)C
InChIInChI=1S/C12H26N2O/c1-6-14(9-12(4,5)8-13)11(15)7-10(2)3/h10H,6-9,13H2,1-5H3
InChIKeyJHHLLIBYXYOKOC-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.87
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-methylbutanamide

N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-methylbutanamide (PubChem CID 79668143) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-methylbutanamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-methylbutanamide
PubChem CID79668143
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-methylbutanamide
SMILESCCN(CC(C)(C)CN)C(=O)CC(C)C
InChIInChI=1S/C12H26N2O/c1-6-14(9-12(4,5)8-13)11(15)7-10(2)3/h10H,6-9,13H2,1-5H3
InChIKeyJHHLLIBYXYOKOC-UHFFFAOYSA-N
XLogP1.87
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide
CID 79387562
N-(3-amino-2,2-dimethylpropyl)-N,3-dimethylbutanamide
CID 79652395
N-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethylhexanamide;hydrochloride
CID 119655813
4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methoxybutanamide
CID 103156201
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-phenylpropanamide
CID 79668144
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 79667741
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-4-hydroxybenzamide
CID 79668244
2-[(3-amino-2,2-dimethylpropyl)-ethylamino]propanoic acid
CID 79661326
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-thiophen-2-ylacetamide
CID 79667491
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-(4-methoxyphenyl)acetamide
CID 79667818
N-(aminomethyl)-3-methyl-N-(2-methylpropyl)butanamide
CID 144977230
2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-methylpropyl)acetamide
CID 79662393

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-methylbutanamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-methylbutanamide (CID 79668143) is N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-methylbutanamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-methylbutanamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-methylbutanamide is CCN(CC(C)(C)CN)C(=O)CC(C)C.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-methylbutanamide?
The InChIKey is JHHLLIBYXYOKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-6-14(9-12(4,5)8-13)11(15)7-10(2)3/h10H,6-9,13H2,1-5H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-methylbutanamide?
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-methylbutanamide has a molecular weight of 214.35 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-methylbutanamide is sourced from PubChem (CID 79668143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).