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

C13H26N2O — CID 43309660

IUPAC2-[(2,3-dimethylcyclohexyl)amino]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CNC1CCCC(C)C1C
InChIInChI=1S/C13H26N2O/c1-5-15(4)13(16)9-14-12-8-6-7-10(2)11(12)3/h10-12,14H,5-9H2,1-4H3
InChIKeyLXFMURWICVONED-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.88
Rot. Bonds4

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

2-[(2,3-dimethylcyclohexyl)amino]-N-ethyl-N-methylacetamide (PubChem CID 43309660) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-[(2,3-dimethylcyclohexyl)amino]-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-[(2,3-dimethylcyclohexyl)amino]-N-ethyl-N-methylacetamide
PubChem CID43309660
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-[(2,3-dimethylcyclohexyl)amino]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CNC1CCCC(C)C1C
InChIInChI=1S/C13H26N2O/c1-5-15(4)13(16)9-14-12-8-6-7-10(2)11(12)3/h10-12,14H,5-9H2,1-4H3
InChIKeyLXFMURWICVONED-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

N-ethyl-2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-N-methylacetamide
CID 94415851
2-[(1,3-dimethylpiperidin-4-yl)amino]-N-ethyl-N-methylacetamide
CID 114448901
2-(cyclooctylamino)-N-ethyl-N-methylacetamide
CID 43309596
2-[[(2,3-dimethylcyclohexyl)amino]methyl]prop-2-enoic acid
CID 103234709
2-[(3,4-dimethylcyclohexyl)amino]-N-ethyl-N-methylacetamide
CID 64743255
N-butan-2-yl-2-[(2,3-dimethylcyclohexyl)amino]acetamide
CID 43180085
N-(cyanomethyl)-2-[(2,3-dimethylcyclohexyl)amino]acetamide
CID 43199293
N-benzyl-2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-N-propan-2-ylacetamide
CID 6591224
2-[(2,3-dimethylcyclohexyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60647542
2,3-dimethyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine
CID 103605044
2-[(2,3-dimethylcyclohexyl)amino]-N-(3-methylbutyl)acetamide
CID 60672363
N-(2,6-diethylphenyl)-2-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]acetamide
CID 11939615

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethylcyclohexyl)amino]-N-ethyl-N-methylacetamide?
The IUPAC name of 2-[(2,3-dimethylcyclohexyl)amino]-N-ethyl-N-methylacetamide (CID 43309660) is 2-[(2,3-dimethylcyclohexyl)amino]-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-[(2,3-dimethylcyclohexyl)amino]-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-[(2,3-dimethylcyclohexyl)amino]-N-ethyl-N-methylacetamide is CCN(C)C(=O)CNC1CCCC(C)C1C.
What is the InChIKey of 2-[(2,3-dimethylcyclohexyl)amino]-N-ethyl-N-methylacetamide?
The InChIKey is LXFMURWICVONED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-5-15(4)13(16)9-14-12-8-6-7-10(2)11(12)3/h10-12,14H,5-9H2,1-4H3.
What are the key properties of 2-[(2,3-dimethylcyclohexyl)amino]-N-ethyl-N-methylacetamide?
2-[(2,3-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-[(2,3-dimethylcyclohexyl)amino]-N-ethyl-N-methylacetamide is sourced from PubChem (CID 43309660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).