2-(2-aminoethoxy)-N-cycloheptyl-N-methylacetamide

C12H24N2O2 — CID 79474162

IUPAC2-(2-aminoethoxy)-N-cycloheptyl-N-methylacetamide
SMILESCN(C(=O)COCCN)C1CCCCCC1
InChIInChI=1S/C12H24N2O2/c1-14(12(15)10-16-9-8-13)11-6-4-2-3-5-7-11/h11H,2-10,13H2,1H3
InChIKeyPXQQWGWPSGOWCA-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.14
Rot. Bonds5

About 2-(2-aminoethoxy)-N-cycloheptyl-N-methylacetamide

2-(2-aminoethoxy)-N-cycloheptyl-N-methylacetamide (PubChem CID 79474162) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-cycloheptyl-N-methylacetamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-cycloheptyl-N-methylacetamide
PubChem CID79474162
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-(2-aminoethoxy)-N-cycloheptyl-N-methylacetamide
SMILESCN(C(=O)COCCN)C1CCCCCC1
InChIInChI=1S/C12H24N2O2/c1-14(12(15)10-16-9-8-13)11-6-4-2-3-5-7-11/h11H,2-10,13H2,1H3
InChIKeyPXQQWGWPSGOWCA-UHFFFAOYSA-N
XLogP1.14
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-aminoethoxy)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 79462989
N-cyclohexyl-2-[2-[cyclohexyl(methyl)amino]-2-sulfanylideneethoxy]-N-methylacetamide
CID 166451751
2-(2-aminoethoxy)-N-cyclopentyl-N-ethylacetamide
CID 79473978
2-(2-aminoethoxy)-N-(cyclobutylmethyl)-N-methylacetamide
CID 79479227
N-cyclohexyl-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604739
7-amino-N-cycloheptyl-N-methylheptanamide
CID 43614064
7-amino-N-cyclooctyl-N-methylheptanamide
CID 119763844
N-(2-adamantyl)-2-(2-aminoethoxy)-N-methylacetamide
CID 79473762
2-(2-aminoethoxy)-N-methyl-N-(2-methyloxolan-3-yl)acetamide
CID 82739040
N-cyclopentyl-N-methyl-2-propan-2-yloxyacetamide
CID 112686921
N-cycloheptyl-2-hydroxy-N-methylacetamide
CID 130678772
2-(2-aminoethoxy)-N-[3-[cyclohexyl(methyl)amino]propyl]acetamide
CID 79473004

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-cycloheptyl-N-methylacetamide?
The IUPAC name of 2-(2-aminoethoxy)-N-cycloheptyl-N-methylacetamide (CID 79474162) is 2-(2-aminoethoxy)-N-cycloheptyl-N-methylacetamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-cycloheptyl-N-methylacetamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-cycloheptyl-N-methylacetamide is CN(C(=O)COCCN)C1CCCCCC1.
What is the InChIKey of 2-(2-aminoethoxy)-N-cycloheptyl-N-methylacetamide?
The InChIKey is PXQQWGWPSGOWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-14(12(15)10-16-9-8-13)11-6-4-2-3-5-7-11/h11H,2-10,13H2,1H3.
What are the key properties of 2-(2-aminoethoxy)-N-cycloheptyl-N-methylacetamide?
2-(2-aminoethoxy)-N-cycloheptyl-N-methylacetamide has a molecular weight of 228.34 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-cycloheptyl-N-methylacetamide is sourced from PubChem (CID 79474162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).