2-[1-(aminomethyl)cycloheptyl]oxy-N,N-dimethylacetamide

C12H24N2O2 — CID 65052011

IUPAC2-[1-(aminomethyl)cycloheptyl]oxy-N,N-dimethylacetamide
SMILESCN(C)C(=O)COC1(CN)CCCCCC1
InChIInChI=1S/C12H24N2O2/c1-14(2)11(15)9-16-12(10-13)7-5-3-4-6-8-12/h3-10,13H2,1-2H3
InChIKeyFYNGNRNCJBTBIZ-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.14
Rot. Bonds4

About 2-[1-(aminomethyl)cycloheptyl]oxy-N,N-dimethylacetamide

2-[1-(aminomethyl)cycloheptyl]oxy-N,N-dimethylacetamide (PubChem CID 65052011) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cycloheptyl]oxy-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cycloheptyl]oxy-N,N-dimethylacetamide
PubChem CID65052011
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-[1-(aminomethyl)cycloheptyl]oxy-N,N-dimethylacetamide
SMILESCN(C)C(=O)COC1(CN)CCCCCC1
InChIInChI=1S/C12H24N2O2/c1-14(2)11(15)9-16-12(10-13)7-5-3-4-6-8-12/h3-10,13H2,1-2H3
InChIKeyFYNGNRNCJBTBIZ-UHFFFAOYSA-N
XLogP1.14
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

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Related Compounds

2-[1-(aminomethyl)cyclopentyl]oxy-N-methyl-N-propan-2-ylacetamide
CID 65051036
2-[1-(aminomethyl)cyclohexyl]oxy-1-(azepan-1-yl)ethanone
CID 65051205
2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxy-N-cyclopropyl-N-methylacetamide
CID 65050897
2-[1-(aminomethyl)cyclohexyl]oxy-N-propylacetamide
CID 65051149
2-[1-(aminomethyl)cycloheptyl]oxy-N-(3-methylbutan-2-yl)acetamide
CID 65051633
2-[1-(aminomethyl)cyclohexyl]oxy-N,N-dimethylpropanamide
CID 65050602
2-[1-(aminomethyl)cyclopentyl]oxy-1-pyrrolidin-1-ylethanone
CID 65051305
2-[1-(aminomethyl)cyclopentyl]oxy-N-propylacetamide
CID 65050921
3-[1-(aminomethyl)cyclohexyl]oxypropanamide
CID 65050712
2-[1-(aminomethyl)cyclopentyl]oxy-N-cycloheptylacetamide
CID 65050926
2-(3-ethyloxetan-3-yl)oxy-N,N-dimethylacetamide
CID 91387504
2-[1-(aminomethyl)cyclohexyl]oxy-N-(3-methylphenyl)acetamide
CID 65051099

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cycloheptyl]oxy-N,N-dimethylacetamide?
The IUPAC name of 2-[1-(aminomethyl)cycloheptyl]oxy-N,N-dimethylacetamide (CID 65052011) is 2-[1-(aminomethyl)cycloheptyl]oxy-N,N-dimethylacetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cycloheptyl]oxy-N,N-dimethylacetamide?
The canonical SMILES for 2-[1-(aminomethyl)cycloheptyl]oxy-N,N-dimethylacetamide is CN(C)C(=O)COC1(CN)CCCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cycloheptyl]oxy-N,N-dimethylacetamide?
The InChIKey is FYNGNRNCJBTBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-14(2)11(15)9-16-12(10-13)7-5-3-4-6-8-12/h3-10,13H2,1-2H3.
What are the key properties of 2-[1-(aminomethyl)cycloheptyl]oxy-N,N-dimethylacetamide?
2-[1-(aminomethyl)cycloheptyl]oxy-N,N-dimethylacetamide has a molecular weight of 228.34 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cycloheptyl]oxy-N,N-dimethylacetamide is sourced from PubChem (CID 65052011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).