3-(4-aminocyclohexyl)-2-methoxypropanamide

C10H20N2O2 — CID 57291081

IUPAC3-(4-aminocyclohexyl)-2-methoxypropanamide
SMILESCOC(CC1CCC(N)CC1)C(N)=O
InChIInChI=1S/C10H20N2O2/c1-14-9(10(12)13)6-7-2-4-8(11)5-3-7/h7-9H,2-6,11H2,1H3,(H2,12,13)
InChIKeyHDLPOQLFULMIIH-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.39
Rot. Bonds4

About 3-(4-aminocyclohexyl)-2-methoxypropanamide

3-(4-aminocyclohexyl)-2-methoxypropanamide (PubChem CID 57291081) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-(4-aminocyclohexyl)-2-methoxypropanamide.

Molecular Properties

Compound Name3-(4-aminocyclohexyl)-2-methoxypropanamide
PubChem CID57291081
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name3-(4-aminocyclohexyl)-2-methoxypropanamide
SMILESCOC(CC1CCC(N)CC1)C(N)=O
InChIInChI=1S/C10H20N2O2/c1-14-9(10(12)13)6-7-2-4-8(11)5-3-7/h7-9H,2-6,11H2,1H3,(H2,12,13)
InChIKeyHDLPOQLFULMIIH-UHFFFAOYSA-N
XLogP0.39
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(4-aminocyclohexyl)-2-methoxypropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminocyclohexyl)-2-methoxypropanamide?
The IUPAC name of 3-(4-aminocyclohexyl)-2-methoxypropanamide (CID 57291081) is 3-(4-aminocyclohexyl)-2-methoxypropanamide.
What is the SMILES notation for 3-(4-aminocyclohexyl)-2-methoxypropanamide?
The canonical SMILES for 3-(4-aminocyclohexyl)-2-methoxypropanamide is COC(CC1CCC(N)CC1)C(N)=O.
What is the InChIKey of 3-(4-aminocyclohexyl)-2-methoxypropanamide?
The InChIKey is HDLPOQLFULMIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-14-9(10(12)13)6-7-2-4-8(11)5-3-7/h7-9H,2-6,11H2,1H3,(H2,12,13).
What are the key properties of 3-(4-aminocyclohexyl)-2-methoxypropanamide?
3-(4-aminocyclohexyl)-2-methoxypropanamide has a molecular weight of 200.28 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminocyclohexyl)-2-methoxypropanamide is sourced from PubChem (CID 57291081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).