2-[1-(aminomethyl)cyclohexyl]-N-ethoxyacetamide

C11H22N2O2 — CID 104678316

IUPAC2-[1-(aminomethyl)cyclohexyl]-N-ethoxyacetamide
SMILESCCONC(=O)CC1(CN)CCCCC1
InChIInChI=1S/C11H22N2O2/c1-2-15-13-10(14)8-11(9-12)6-4-3-5-7-11/h2-9,12H2,1H3,(H,13,14)
InChIKeyCBRNPJKNNKPGQX-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.35
Rot. Bonds5

About 2-[1-(aminomethyl)cyclohexyl]-N-ethoxyacetamide

2-[1-(aminomethyl)cyclohexyl]-N-ethoxyacetamide (PubChem CID 104678316) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-N-ethoxyacetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-N-ethoxyacetamide
PubChem CID104678316
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-N-ethoxyacetamide
SMILESCCONC(=O)CC1(CN)CCCCC1
InChIInChI=1S/C11H22N2O2/c1-2-15-13-10(14)8-11(9-12)6-4-3-5-7-11/h2-9,12H2,1H3,(H,13,14)
InChIKeyCBRNPJKNNKPGQX-UHFFFAOYSA-N
XLogP1.35
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[1-(aminomethyl)cyclohexyl]-N-methylacetamide
CID 59780086
ethyl 2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]acetate
CID 83316807
2-[1-(aminomethyl)cyclopentyl]-N-methylacetamide
CID 82503215
2-[1-(aminomethyl)cyclohexyl]-N-(2,2-diethoxyethyl)acetamide
CID 104678420
2-[1-(aminomethyl)cyclohexyl]-N-(2-ethoxypropyl)acetamide
CID 113459978
ethyl 4-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]butanoate
CID 104678297
1-[1-(aminomethyl)cyclohexyl]-3-ethoxypropan-2-one
CID 116614286
2-[1-(aminomethyl)cyclohexyl]-N-(2-methoxyethyl)acetamide
CID 82680747
2-[1-(aminomethyl)cyclohexyl]-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide
CID 113475600
N-(2-aminoethyl)-2-[1-(aminomethyl)cyclohexyl]acetamide
CID 104677966
(2S)-2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]-3-methylpentanoic acid
CID 104677924
(2S)-2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]butanoic acid
CID 113342137

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-ethoxyacetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-ethoxyacetamide (CID 104678316) is 2-[1-(aminomethyl)cyclohexyl]-N-ethoxyacetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-N-ethoxyacetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-N-ethoxyacetamide is CCONC(=O)CC1(CN)CCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-N-ethoxyacetamide?
The InChIKey is CBRNPJKNNKPGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-2-15-13-10(14)8-11(9-12)6-4-3-5-7-11/h2-9,12H2,1H3,(H,13,14).
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-N-ethoxyacetamide?
2-[1-(aminomethyl)cyclohexyl]-N-ethoxyacetamide has a molecular weight of 214.31 g/mol, XLogP of 1.35, 5 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-ethoxyacetamide is sourced from PubChem (CID 104678316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).