2-(cycloheptylmethylamino)-N-ethyl-N-methylacetamide

C13H26N2O — CID 104923486

IUPAC2-(cycloheptylmethylamino)-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CNCC1CCCCCC1
InChIInChI=1S/C13H26N2O/c1-3-15(2)13(16)11-14-10-12-8-6-4-5-7-9-12/h12,14H,3-11H2,1-2H3
InChIKeyWXOUEFWUVJTPLR-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.02
Rot. Bonds5

About 2-(cycloheptylmethylamino)-N-ethyl-N-methylacetamide

2-(cycloheptylmethylamino)-N-ethyl-N-methylacetamide (PubChem CID 104923486) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-(cycloheptylmethylamino)-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-(cycloheptylmethylamino)-N-ethyl-N-methylacetamide
PubChem CID104923486
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-(cycloheptylmethylamino)-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CNCC1CCCCCC1
InChIInChI=1S/C13H26N2O/c1-3-15(2)13(16)11-14-10-12-8-6-4-5-7-9-12/h12,14H,3-11H2,1-2H3
InChIKeyWXOUEFWUVJTPLR-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cycloheptylmethylamino)-N,N-diethylacetamide
CID 113253458
N-ethyl-N-methyl-2-(oxolan-3-ylmethylamino)acetamide
CID 61040421
2-(cyclooctylamino)-N-ethyl-N-methylacetamide
CID 43309596
2-[(1,1-dioxothiolan-2-yl)methylamino]-N-ethyl-N-methylacetamide
CID 81038902
2-(cycloheptylmethylamino)-N-ethyl-N-methylpropanamide
CID 103107981
2-[(4-ethylcyclohexyl)methylamino]-N,N-dimethylacetamide
CID 60971732
N-cyclopropyl-2-(cyclopropylmethylamino)-N-ethylacetamide
CID 60843358
2-(cyclopropylmethylamino)-N-(2-methoxyethyl)-N-methylacetamide
CID 61042213
tert-butyl 2-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]pyrrolidine-1-carboxylate
CID 107755504
2-(cyclooctylmethylamino)-N-methylacetamide
CID 134293833
2-(cyclopropylmethylamino)-N-methyl-N-(oxan-2-ylmethyl)acetamide;hydrochloride
CID 119746345
N-ethyl-2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-N-methylacetamide
CID 94415851

Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptylmethylamino)-N-ethyl-N-methylacetamide?
The IUPAC name of 2-(cycloheptylmethylamino)-N-ethyl-N-methylacetamide (CID 104923486) is 2-(cycloheptylmethylamino)-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-(cycloheptylmethylamino)-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-(cycloheptylmethylamino)-N-ethyl-N-methylacetamide is CCN(C)C(=O)CNCC1CCCCCC1.
What is the InChIKey of 2-(cycloheptylmethylamino)-N-ethyl-N-methylacetamide?
The InChIKey is WXOUEFWUVJTPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-15(2)13(16)11-14-10-12-8-6-4-5-7-9-12/h12,14H,3-11H2,1-2H3.
What are the key properties of 2-(cycloheptylmethylamino)-N-ethyl-N-methylacetamide?
2-(cycloheptylmethylamino)-N-ethyl-N-methylacetamide has a molecular weight of 226.36 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptylmethylamino)-N-ethyl-N-methylacetamide is sourced from PubChem (CID 104923486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).