2-[(3,4-dimethylcyclohexyl)amino]-N-ethyl-N-methylacetamide

C13H26N2O — CID 64743255

IUPAC2-[(3,4-dimethylcyclohexyl)amino]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CNC1CCC(C)C(C)C1
InChIInChI=1S/C13H26N2O/c1-5-15(4)13(16)9-14-12-7-6-10(2)11(3)8-12/h10-12,14H,5-9H2,1-4H3
InChIKeyPBZMJSPCYQVBCG-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.88
Rot. Bonds4

About 2-[(3,4-dimethylcyclohexyl)amino]-N-ethyl-N-methylacetamide

2-[(3,4-dimethylcyclohexyl)amino]-N-ethyl-N-methylacetamide (PubChem CID 64743255) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-[(3,4-dimethylcyclohexyl)amino]-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-[(3,4-dimethylcyclohexyl)amino]-N-ethyl-N-methylacetamide
PubChem CID64743255
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-[(3,4-dimethylcyclohexyl)amino]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CNC1CCC(C)C(C)C1
InChIInChI=1S/C13H26N2O/c1-5-15(4)13(16)9-14-12-7-6-10(2)11(3)8-12/h10-12,14H,5-9H2,1-4H3
InChIKeyPBZMJSPCYQVBCG-UHFFFAOYSA-N
XLogP1.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclooctylamino)-N-ethyl-N-methylacetamide
CID 43309596
2-[(4-tert-butylcyclohexyl)amino]-N-ethyl-N-methylacetamide
CID 104923581
N-ethyl-N-methyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]acetamide
CID 104926640
N-cyclopropyl-2-[(3,4-dimethylcyclohexyl)amino]acetamide
CID 64732207
2-[[(3,4-dimethylcyclohexyl)amino]methyl]prop-2-enoic acid
CID 103253355
2-[(3,3-dimethylcyclopentyl)amino]-N-ethyl-N-methylacetamide
CID 114448902
2-[(2,3-dimethylcyclohexyl)amino]-N-ethyl-N-methylacetamide
CID 43309660
N-ethyl-2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-N-methylacetamide
CID 94415851
4-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]piperidine-1-carboxamide
CID 104923445
2-[(1,3-dimethylpiperidin-4-yl)amino]-N-ethyl-N-methylacetamide
CID 114448901
2-[(2,2-dimethyloxan-4-yl)amino]-N-ethyl-N-methylacetamide
CID 83033158
N-ethyl-N-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]acetamide
CID 104926671

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethylcyclohexyl)amino]-N-ethyl-N-methylacetamide?
The IUPAC name of 2-[(3,4-dimethylcyclohexyl)amino]-N-ethyl-N-methylacetamide (CID 64743255) is 2-[(3,4-dimethylcyclohexyl)amino]-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-[(3,4-dimethylcyclohexyl)amino]-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-[(3,4-dimethylcyclohexyl)amino]-N-ethyl-N-methylacetamide is CCN(C)C(=O)CNC1CCC(C)C(C)C1.
What is the InChIKey of 2-[(3,4-dimethylcyclohexyl)amino]-N-ethyl-N-methylacetamide?
The InChIKey is PBZMJSPCYQVBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-5-15(4)13(16)9-14-12-7-6-10(2)11(3)8-12/h10-12,14H,5-9H2,1-4H3.
What are the key properties of 2-[(3,4-dimethylcyclohexyl)amino]-N-ethyl-N-methylacetamide?
2-[(3,4-dimethylcyclohexyl)amino]-N-ethyl-N-methylacetamide has a molecular weight of 226.36 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethylcyclohexyl)amino]-N-ethyl-N-methylacetamide is sourced from PubChem (CID 64743255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).