2-[1-(aminomethyl)cyclohexyl]-N-(2-methoxyethyl)acetamide

C12H24N2O2 — CID 82680747

IUPAC2-[1-(aminomethyl)cyclohexyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CC1(CN)CCCCC1
InChIInChI=1S/C12H24N2O2/c1-16-8-7-14-11(15)9-12(10-13)5-3-2-4-6-12/h2-10,13H2,1H3,(H,14,15)
InChIKeyGVODCGKASBWMHC-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.05
Rot. Bonds6

About 2-[1-(aminomethyl)cyclohexyl]-N-(2-methoxyethyl)acetamide

2-[1-(aminomethyl)cyclohexyl]-N-(2-methoxyethyl)acetamide (PubChem CID 82680747) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-N-(2-methoxyethyl)acetamide
PubChem CID82680747
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CC1(CN)CCCCC1
InChIInChI=1S/C12H24N2O2/c1-16-8-7-14-11(15)9-12(10-13)5-3-2-4-6-12/h2-10,13H2,1H3,(H,14,15)
InChIKeyGVODCGKASBWMHC-UHFFFAOYSA-N
XLogP1.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-2-[1-(aminomethyl)cyclohexyl]acetamide
CID 104677966
2-[1-(aminomethyl)cyclohexyl]-N-(3-aminopropyl)acetamide
CID 104677967
2-[1-(aminomethyl)cyclohexyl]-N-(2-phenoxyethyl)acetamide
CID 104678055
2-[1-(aminomethyl)cyclohexyl]-N-(3-methylsulfanylpropyl)acetamide
CID 59780090
ethyl 4-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]butanoate
CID 104678297
2-[1-(aminomethyl)cyclohexyl]-N-[2-[ethyl(methyl)amino]ethyl]acetamide
CID 113440176
2-[1-(aminomethyl)cyclohexyl]-N-[4-(dimethylamino)butyl]acetamide
CID 104678084
2-[1-(aminomethyl)cyclohexyl]-N-methylacetamide
CID 59780086
ethyl 2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]acetate
CID 83316807
2-[1-(aminomethyl)cyclohexyl]-N-[3-(methanesulfonamido)propyl]acetamide
CID 104844350
2-[1-(aminomethyl)cyclobutyl]-N-(3-aminopropyl)acetamide
CID 81171928
2-[1-(aminomethyl)cyclobutyl]-N-[2-(carbamoylamino)ethyl]acetamide
CID 83110025

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-(2-methoxyethyl)acetamide (CID 82680747) is 2-[1-(aminomethyl)cyclohexyl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CC1(CN)CCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-N-(2-methoxyethyl)acetamide?
The InChIKey is GVODCGKASBWMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-16-8-7-14-11(15)9-12(10-13)5-3-2-4-6-12/h2-10,13H2,1H3,(H,14,15).
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-N-(2-methoxyethyl)acetamide?
2-[1-(aminomethyl)cyclohexyl]-N-(2-methoxyethyl)acetamide has a molecular weight of 228.34 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 82680747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).