3-[1-(aminomethyl)cyclohexyl]oxypropanamide

C10H20N2O2 — CID 65050712

IUPAC3-[1-(aminomethyl)cyclohexyl]oxypropanamide
SMILESNCC1(OCCC(N)=O)CCCCC1
InChIInChI=1S/C10H20N2O2/c11-8-10(5-2-1-3-6-10)14-7-4-9(12)13/h1-8,11H2,(H2,12,13)
InChIKeyQVXWORVLVGNSPX-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.54
Rot. Bonds5

About 3-[1-(aminomethyl)cyclohexyl]oxypropanamide

3-[1-(aminomethyl)cyclohexyl]oxypropanamide (PubChem CID 65050712) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-[1-(aminomethyl)cyclohexyl]oxypropanamide.

Molecular Properties

Compound Name3-[1-(aminomethyl)cyclohexyl]oxypropanamide
PubChem CID65050712
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name3-[1-(aminomethyl)cyclohexyl]oxypropanamide
SMILESNCC1(OCCC(N)=O)CCCCC1
InChIInChI=1S/C10H20N2O2/c11-8-10(5-2-1-3-6-10)14-7-4-9(12)13/h1-8,11H2,(H2,12,13)
InChIKeyQVXWORVLVGNSPX-UHFFFAOYSA-N
XLogP0.54
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(aminomethyl)cycloheptyl]oxy-N-propan-2-ylpropanamide
CID 65051854
3-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxypropanoic acid
CID 65052245
2-[1-(aminomethyl)cycloheptyl]oxy-N,N-dimethylacetamide
CID 65052011
2-[1-(aminomethyl)cyclohexyl]oxy-1-(azepan-1-yl)ethanone
CID 65051205
[1-(2-propan-2-yloxyethoxy)cycloheptyl]methanamine
CID 62108129
[1-(3-ethoxypropoxy)cycloheptyl]methanamine
CID 65176333
[1-(3-methoxypropoxy)cyclopentyl]methanamine
CID 62106813
2-[1-(aminomethyl)cyclopentyl]oxy-1-pyrrolidin-1-ylethanone
CID 65051305
2-[1-(aminomethyl)cyclohexyl]oxy-N-propylacetamide
CID 65051149
2-[1-(aminomethyl)cyclopentyl]oxy-N-cycloheptylacetamide
CID 65050926
[1-(2-propylsulfonylethoxy)cyclopentyl]methanamine
CID 106721574
[1-(2-propan-2-ylsulfonylethoxy)cyclopentyl]methanamine
CID 106721576

Frequently Asked Questions

What is the IUPAC name of 3-[1-(aminomethyl)cyclohexyl]oxypropanamide?
The IUPAC name of 3-[1-(aminomethyl)cyclohexyl]oxypropanamide (CID 65050712) is 3-[1-(aminomethyl)cyclohexyl]oxypropanamide.
What is the SMILES notation for 3-[1-(aminomethyl)cyclohexyl]oxypropanamide?
The canonical SMILES for 3-[1-(aminomethyl)cyclohexyl]oxypropanamide is NCC1(OCCC(N)=O)CCCCC1.
What is the InChIKey of 3-[1-(aminomethyl)cyclohexyl]oxypropanamide?
The InChIKey is QVXWORVLVGNSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c11-8-10(5-2-1-3-6-10)14-7-4-9(12)13/h1-8,11H2,(H2,12,13).
What are the key properties of 3-[1-(aminomethyl)cyclohexyl]oxypropanamide?
3-[1-(aminomethyl)cyclohexyl]oxypropanamide has a molecular weight of 200.28 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(aminomethyl)cyclohexyl]oxypropanamide is sourced from PubChem (CID 65050712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).