3-amino-2-methoxy-1-(4-methylazepan-1-yl)propan-1-one

C11H22N2O2 — CID 106112871

IUPAC3-amino-2-methoxy-1-(4-methylazepan-1-yl)propan-1-one
SMILESCOC(CN)C(=O)N1CCCC(C)CC1
InChIInChI=1S/C11H22N2O2/c1-9-4-3-6-13(7-5-9)11(14)10(8-12)15-2/h9-10H,3-8,12H2,1-2H3
InChIKeyPTICTJBPSBUMIE-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.61
Rot. Bonds3

About 3-amino-2-methoxy-1-(4-methylazepan-1-yl)propan-1-one

3-amino-2-methoxy-1-(4-methylazepan-1-yl)propan-1-one (PubChem CID 106112871) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-amino-2-methoxy-1-(4-methylazepan-1-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-2-methoxy-1-(4-methylazepan-1-yl)propan-1-one
PubChem CID106112871
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-amino-2-methoxy-1-(4-methylazepan-1-yl)propan-1-one
SMILESCOC(CN)C(=O)N1CCCC(C)CC1
InChIInChI=1S/C11H22N2O2/c1-9-4-3-6-13(7-5-9)11(14)10(8-12)15-2/h9-10H,3-8,12H2,1-2H3
InChIKeyPTICTJBPSBUMIE-UHFFFAOYSA-N
XLogP0.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-amino-2-methoxy-1-(4-methylazepan-1-yl)propan-1-one 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-amino-2-methoxy-1-(4-methylazepan-1-yl)propan-1-one?
The IUPAC name of 3-amino-2-methoxy-1-(4-methylazepan-1-yl)propan-1-one (CID 106112871) is 3-amino-2-methoxy-1-(4-methylazepan-1-yl)propan-1-one.
What is the SMILES notation for 3-amino-2-methoxy-1-(4-methylazepan-1-yl)propan-1-one?
The canonical SMILES for 3-amino-2-methoxy-1-(4-methylazepan-1-yl)propan-1-one is COC(CN)C(=O)N1CCCC(C)CC1.
What is the InChIKey of 3-amino-2-methoxy-1-(4-methylazepan-1-yl)propan-1-one?
The InChIKey is PTICTJBPSBUMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9-4-3-6-13(7-5-9)11(14)10(8-12)15-2/h9-10H,3-8,12H2,1-2H3.
What are the key properties of 3-amino-2-methoxy-1-(4-methylazepan-1-yl)propan-1-one?
3-amino-2-methoxy-1-(4-methylazepan-1-yl)propan-1-one has a molecular weight of 214.31 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methoxy-1-(4-methylazepan-1-yl)propan-1-one is sourced from PubChem (CID 106112871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).