2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N-ethylacetamide

C12H24N2O2 — CID 65052349

IUPAC2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N-ethylacetamide
SMILESCCNC(=O)COC1(CN)CCCC(C)C1
InChIInChI=1S/C12H24N2O2/c1-3-14-11(15)8-16-12(9-13)6-4-5-10(2)7-12/h10H,3-9,13H2,1-2H3,(H,14,15)
InChIKeyAHJPRJFCATUADL-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.05
Rot. Bonds5

About 2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N-ethylacetamide

2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N-ethylacetamide (PubChem CID 65052349) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N-ethylacetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N-ethylacetamide
PubChem CID65052349
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N-ethylacetamide
SMILESCCNC(=O)COC1(CN)CCCC(C)C1
InChIInChI=1S/C12H24N2O2/c1-3-14-11(15)8-16-12(9-13)6-4-5-10(2)7-12/h10H,3-9,13H2,1-2H3,(H,14,15)
InChIKeyAHJPRJFCATUADL-UHFFFAOYSA-N
XLogP1.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

Analyze 2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N-ethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(aminomethyl)-3-methylcyclopentyl]oxy-N-methylacetamide
CID 65051418
2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-1-morpholin-4-ylethanone
CID 65052834
2-[1-(aminomethyl)cyclopentyl]oxy-N-propylacetamide
CID 65050921
2-[1-(aminomethyl)cyclohexyl]oxy-N-propylacetamide
CID 65051149
2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N-butylpropanamide
CID 65052926
(1-methoxy-3-methylcyclohexyl)methanamine
CID 15495984
4-[1-(aminomethyl)-3-methylcyclohexyl]oxybutan-1-ol
CID 65052251
[1-(3-ethylsulfonylpropoxy)-3-methylcyclohexyl]methanamine
CID 65093651
2-[1-(aminomethyl)-3-methylcyclopentyl]oxy-N-ethyl-N-methylacetamide
CID 65051568
4-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N,N-dimethylbutanamide
CID 65052593
1-amino-N-ethyl-3-methylcyclohexane-1-carboxamide
CID 64549188
2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N-(2-methylbutan-2-yl)propanamide
CID 65052494

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N-ethylacetamide?
The IUPAC name of 2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N-ethylacetamide (CID 65052349) is 2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N-ethylacetamide.
What is the SMILES notation for 2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N-ethylacetamide?
The canonical SMILES for 2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N-ethylacetamide is CCNC(=O)COC1(CN)CCCC(C)C1.
What is the InChIKey of 2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N-ethylacetamide?
The InChIKey is AHJPRJFCATUADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-14-11(15)8-16-12(9-13)6-4-5-10(2)7-12/h10H,3-9,13H2,1-2H3,(H,14,15).
What are the key properties of 2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N-ethylacetamide?
2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N-ethylacetamide has a molecular weight of 228.34 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N-ethylacetamide is sourced from PubChem (CID 65052349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).