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

C13H26N2O2 — CID 106112955

IUPAC3-amino-2-methoxy-1-(4-propylazepan-1-yl)propan-1-one
SMILESCCCC1CCCN(C(=O)C(CN)OC)CC1
InChIInChI=1S/C13H26N2O2/c1-3-5-11-6-4-8-15(9-7-11)13(16)12(10-14)17-2/h11-12H,3-10,14H2,1-2H3
InChIKeyBLLLSJWRZOTICD-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.39
Rot. Bonds5

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

3-amino-2-methoxy-1-(4-propylazepan-1-yl)propan-1-one (PubChem CID 106112955) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-amino-2-methoxy-1-(4-propylazepan-1-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-2-methoxy-1-(4-propylazepan-1-yl)propan-1-one
PubChem CID106112955
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-amino-2-methoxy-1-(4-propylazepan-1-yl)propan-1-one
SMILESCCCC1CCCN(C(=O)C(CN)OC)CC1
InChIInChI=1S/C13H26N2O2/c1-3-5-11-6-4-8-15(9-7-11)13(16)12(10-14)17-2/h11-12H,3-10,14H2,1-2H3
InChIKeyBLLLSJWRZOTICD-UHFFFAOYSA-N
XLogP1.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-amino-2-methoxy-1-(4-propylazepan-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-propylazepan-1-yl)propan-1-one?
The IUPAC name of 3-amino-2-methoxy-1-(4-propylazepan-1-yl)propan-1-one (CID 106112955) is 3-amino-2-methoxy-1-(4-propylazepan-1-yl)propan-1-one.
What is the SMILES notation for 3-amino-2-methoxy-1-(4-propylazepan-1-yl)propan-1-one?
The canonical SMILES for 3-amino-2-methoxy-1-(4-propylazepan-1-yl)propan-1-one is CCCC1CCCN(C(=O)C(CN)OC)CC1.
What is the InChIKey of 3-amino-2-methoxy-1-(4-propylazepan-1-yl)propan-1-one?
The InChIKey is BLLLSJWRZOTICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-5-11-6-4-8-15(9-7-11)13(16)12(10-14)17-2/h11-12H,3-10,14H2,1-2H3.
What are the key properties of 3-amino-2-methoxy-1-(4-propylazepan-1-yl)propan-1-one?
3-amino-2-methoxy-1-(4-propylazepan-1-yl)propan-1-one has a molecular weight of 242.36 g/mol, XLogP of 1.39, 5 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-propylazepan-1-yl)propan-1-one is sourced from PubChem (CID 106112955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).