2-[(4-ethylcyclohexyl)methylamino]-N,N-dimethylacetamide

C13H26N2O — CID 60971732

IUPAC2-[(4-ethylcyclohexyl)methylamino]-N,N-dimethylacetamide
SMILESCCC1CCC(CNCC(=O)N(C)C)CC1
InChIInChI=1S/C13H26N2O/c1-4-11-5-7-12(8-6-11)9-14-10-13(16)15(2)3/h11-12,14H,4-10H2,1-3H3
InChIKeyHLXNXEQMFYJKAM-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.88
Rot. Bonds5

About 2-[(4-ethylcyclohexyl)methylamino]-N,N-dimethylacetamide

2-[(4-ethylcyclohexyl)methylamino]-N,N-dimethylacetamide (PubChem CID 60971732) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-[(4-ethylcyclohexyl)methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(4-ethylcyclohexyl)methylamino]-N,N-dimethylacetamide
PubChem CID60971732
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-[(4-ethylcyclohexyl)methylamino]-N,N-dimethylacetamide
SMILESCCC1CCC(CNCC(=O)N(C)C)CC1
InChIInChI=1S/C13H26N2O/c1-4-11-5-7-12(8-6-11)9-14-10-13(16)15(2)3/h11-12,14H,4-10H2,1-3H3
InChIKeyHLXNXEQMFYJKAM-UHFFFAOYSA-N
XLogP1.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

ethyl 2-[(4-ethylcyclohexyl)methylamino]acetate
CID 55025429
3-[(4-ethylcyclohexyl)methyl]-1,1-dimethylurea
CID 115590479
N-cyclopropyl-2-(cyclopropylmethylamino)-N-ethylacetamide
CID 60843358
2-(cyclopropylmethylamino)-N-methyl-N-pentan-2-ylacetamide
CID 60865827
N-cyclopropyl-N-methyl-2-[(4-methylcyclohexyl)methylamino]acetamide
CID 55173315
2-(cycloheptylmethylamino)-N-ethyl-N-methylacetamide
CID 104923486
2-(cyclopropylmethylamino)-N-(4-ethylcyclohexyl)acetamide;hydrochloride
CID 119716167
tert-butyl 4-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]piperidine-1-carboxylate
CID 79697736
2-(cyclopropylmethylamino)-N-methyl-N-(4-methylcyclohexyl)acetamide;hydrochloride
CID 119689921
2-(cyclopropylmethylamino)-N-(2-methoxyethyl)-N-methylacetamide
CID 61042213
[4-[[(4-ethylcyclohexyl)methylamino]methyl]cyclohexyl]methanamine
CID 134168481
N-(4-ethylcyclohexyl)-N-methyl-2-(prop-2-enylamino)acetamide
CID 79278136

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylcyclohexyl)methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(4-ethylcyclohexyl)methylamino]-N,N-dimethylacetamide (CID 60971732) is 2-[(4-ethylcyclohexyl)methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(4-ethylcyclohexyl)methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(4-ethylcyclohexyl)methylamino]-N,N-dimethylacetamide is CCC1CCC(CNCC(=O)N(C)C)CC1.
What is the InChIKey of 2-[(4-ethylcyclohexyl)methylamino]-N,N-dimethylacetamide?
The InChIKey is HLXNXEQMFYJKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-11-5-7-12(8-6-11)9-14-10-13(16)15(2)3/h11-12,14H,4-10H2,1-3H3.
What are the key properties of 2-[(4-ethylcyclohexyl)methylamino]-N,N-dimethylacetamide?
2-[(4-ethylcyclohexyl)methylamino]-N,N-dimethylacetamide has a molecular weight of 226.36 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylcyclohexyl)methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 60971732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).