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

C14H28N2O2 — CID 113459978

IUPAC2-[1-(aminomethyl)cyclohexyl]-N-(2-ethoxypropyl)acetamide
SMILESCCOC(C)CNC(=O)CC1(CN)CCCCC1
InChIInChI=1S/C14H28N2O2/c1-3-18-12(2)10-16-13(17)9-14(11-15)7-5-4-6-8-14/h12H,3-11,15H2,1-2H3,(H,16,17)
InChIKeyGZHZYKRACMLQEL-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.83
Rot. Bonds7

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

2-[1-(aminomethyl)cyclohexyl]-N-(2-ethoxypropyl)acetamide (PubChem CID 113459978) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-N-(2-ethoxypropyl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-N-(2-ethoxypropyl)acetamide
PubChem CID113459978
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-N-(2-ethoxypropyl)acetamide
SMILESCCOC(C)CNC(=O)CC1(CN)CCCCC1
InChIInChI=1S/C14H28N2O2/c1-3-18-12(2)10-16-13(17)9-14(11-15)7-5-4-6-8-14/h12H,3-11,15H2,1-2H3,(H,16,17)
InChIKeyGZHZYKRACMLQEL-UHFFFAOYSA-N
XLogP1.83
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(aminomethyl)cyclohexyl]-N-(2,2-diethoxyethyl)acetamide
CID 104678420
1-[2-(2-ethoxypropylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 113477001
2-[1-(aminomethyl)cyclohexyl]-N-(3-hydroxy-2-methylpropyl)acetamide
CID 113440190
2-[1-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)-3-methylbutyl]acetamide
CID 104677954
2-[[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]methyl]butanoic acid
CID 104678326
ethyl 2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]acetate
CID 83316807
2-[1-(aminomethyl)cyclohexyl]-N-[2-[cyclopropyl(methyl)amino]propyl]acetamide
CID 104844601
2-[1-(aminomethyl)cyclohexyl]-N-ethoxyacetamide
CID 104678316
2-[1-(aminomethyl)cyclohexyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 104677578
2-[1-(aminomethyl)cyclobutyl]-N-(4-hydroxy-2-methylbutyl)acetamide
CID 81169665
ethyl 4-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]butanoate
CID 104678297
2-[1-(aminomethyl)cyclohexyl]-N-(2-methoxyethyl)acetamide
CID 82680747

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-(2-ethoxypropyl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-(2-ethoxypropyl)acetamide (CID 113459978) is 2-[1-(aminomethyl)cyclohexyl]-N-(2-ethoxypropyl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-N-(2-ethoxypropyl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-N-(2-ethoxypropyl)acetamide is CCOC(C)CNC(=O)CC1(CN)CCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-N-(2-ethoxypropyl)acetamide?
The InChIKey is GZHZYKRACMLQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-3-18-12(2)10-16-13(17)9-14(11-15)7-5-4-6-8-14/h12H,3-11,15H2,1-2H3,(H,16,17).
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-N-(2-ethoxypropyl)acetamide?
2-[1-(aminomethyl)cyclohexyl]-N-(2-ethoxypropyl)acetamide has a molecular weight of 256.39 g/mol, XLogP of 1.83, 7 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-ethoxypropyl)acetamide is sourced from PubChem (CID 113459978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).