2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-cyclohexyl-N-ethylacetamide

C16H33N3O — CID 79652736

IUPAC2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-cyclohexyl-N-ethylacetamide
SMILESCCN(C(=O)CN(C)CC(C)(C)CN)C1CCCCC1
InChIInChI=1S/C16H33N3O/c1-5-19(14-9-7-6-8-10-14)15(20)11-18(4)13-16(2,3)12-17/h14H,5-13,17H2,1-4H3
InChIKeyRWDFZHYHAIGEKF-UHFFFAOYSA-N
MW283.46 g/mol
LogP2.08
Rot. Bonds7

About 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-cyclohexyl-N-ethylacetamide

2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-cyclohexyl-N-ethylacetamide (PubChem CID 79652736) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-cyclohexyl-N-ethylacetamide.

Molecular Properties

Compound Name2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-cyclohexyl-N-ethylacetamide
PubChem CID79652736
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-cyclohexyl-N-ethylacetamide
SMILESCCN(C(=O)CN(C)CC(C)(C)CN)C1CCCCC1
InChIInChI=1S/C16H33N3O/c1-5-19(14-9-7-6-8-10-14)15(20)11-18(4)13-16(2,3)12-17/h14H,5-13,17H2,1-4H3
InChIKeyRWDFZHYHAIGEKF-UHFFFAOYSA-N
XLogP2.08
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-N-ethyl-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
CID 78964516
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 79645531
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-ethyl-N-methylacetamide
CID 79652071
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-cyclohexylacetamide
CID 79651871
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-cycloheptylacetamide;hydrochloride
CID 119928901
3-amino-N-cyclohexyl-N-ethylpropanamide
CID 16786481
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-(2-ethylpiperidin-1-yl)ethanone;hydrochloride
CID 119928683
2-(aminomethyl)-N-cyclohexyl-N-ethyl-2-methylbutanamide
CID 114290173
2-amino-N-cyclohexyl-N-ethyl-2-methylpropanamide
CID 56831871
N-(3-amino-2,2-dimethylpropyl)-2-cyclobutyl-N-methylacetamide
CID 103807677
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-(4-methylpiperidin-1-yl)ethanone
CID 79652067
N-cyclohexyl-N-ethyl-2-[methyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119923071

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-cyclohexyl-N-ethylacetamide?
The IUPAC name of 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-cyclohexyl-N-ethylacetamide (CID 79652736) is 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-cyclohexyl-N-ethylacetamide.
What is the SMILES notation for 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-cyclohexyl-N-ethylacetamide?
The canonical SMILES for 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-cyclohexyl-N-ethylacetamide is CCN(C(=O)CN(C)CC(C)(C)CN)C1CCCCC1.
What is the InChIKey of 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-cyclohexyl-N-ethylacetamide?
The InChIKey is RWDFZHYHAIGEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-5-19(14-9-7-6-8-10-14)15(20)11-18(4)13-16(2,3)12-17/h14H,5-13,17H2,1-4H3.
What are the key properties of 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-cyclohexyl-N-ethylacetamide?
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-cyclohexyl-N-ethylacetamide has a molecular weight of 283.46 g/mol, XLogP of 2.08, 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-cyclohexyl-N-ethylacetamide is sourced from PubChem (CID 79652736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).