3-[(1-aminocyclohexyl)methoxy]-2-methylpropanamide

C11H22N2O2 — CID 64574200

IUPAC3-[(1-aminocyclohexyl)methoxy]-2-methylpropanamide
SMILESCC(COCC1(N)CCCCC1)C(N)=O
InChIInChI=1S/C11H22N2O2/c1-9(10(12)14)7-15-8-11(13)5-3-2-4-6-11/h9H,2-8,13H2,1H3,(H2,12,14)
InChIKeyITWWOXFJNUXLTA-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.79
Rot. Bonds5

About 3-[(1-aminocyclohexyl)methoxy]-2-methylpropanamide

3-[(1-aminocyclohexyl)methoxy]-2-methylpropanamide (PubChem CID 64574200) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-[(1-aminocyclohexyl)methoxy]-2-methylpropanamide.

Molecular Properties

Compound Name3-[(1-aminocyclohexyl)methoxy]-2-methylpropanamide
PubChem CID64574200
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-[(1-aminocyclohexyl)methoxy]-2-methylpropanamide
SMILESCC(COCC1(N)CCCCC1)C(N)=O
InChIInChI=1S/C11H22N2O2/c1-9(10(12)14)7-15-8-11(13)5-3-2-4-6-11/h9H,2-8,13H2,1H3,(H2,12,14)
InChIKeyITWWOXFJNUXLTA-UHFFFAOYSA-N
XLogP0.79
TPSA78.34 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 ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-aminocyclohexyl)methoxy]-2-methylpropanamide?
The IUPAC name of 3-[(1-aminocyclohexyl)methoxy]-2-methylpropanamide (CID 64574200) is 3-[(1-aminocyclohexyl)methoxy]-2-methylpropanamide.
What is the SMILES notation for 3-[(1-aminocyclohexyl)methoxy]-2-methylpropanamide?
The canonical SMILES for 3-[(1-aminocyclohexyl)methoxy]-2-methylpropanamide is CC(COCC1(N)CCCCC1)C(N)=O.
What is the InChIKey of 3-[(1-aminocyclohexyl)methoxy]-2-methylpropanamide?
The InChIKey is ITWWOXFJNUXLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(10(12)14)7-15-8-11(13)5-3-2-4-6-11/h9H,2-8,13H2,1H3,(H2,12,14).
What are the key properties of 3-[(1-aminocyclohexyl)methoxy]-2-methylpropanamide?
3-[(1-aminocyclohexyl)methoxy]-2-methylpropanamide has a molecular weight of 214.31 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-aminocyclohexyl)methoxy]-2-methylpropanamide is sourced from PubChem (CID 64574200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).