2-[(1-aminocycloheptyl)methoxy]-N-propylacetamide

C13H26N2O2 — CID 64548960

IUPAC2-[(1-aminocycloheptyl)methoxy]-N-propylacetamide
SMILESCCCNC(=O)COCC1(N)CCCCCC1
InChIInChI=1S/C13H26N2O2/c1-2-9-15-12(16)10-17-11-13(14)7-5-3-4-6-8-13/h2-11,14H2,1H3,(H,15,16)
InChIKeyIDHKGOFNPMARRF-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.58
Rot. Bonds6

About 2-[(1-aminocycloheptyl)methoxy]-N-propylacetamide

2-[(1-aminocycloheptyl)methoxy]-N-propylacetamide (PubChem CID 64548960) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-[(1-aminocycloheptyl)methoxy]-N-propylacetamide.

Molecular Properties

Compound Name2-[(1-aminocycloheptyl)methoxy]-N-propylacetamide
PubChem CID64548960
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-[(1-aminocycloheptyl)methoxy]-N-propylacetamide
SMILESCCCNC(=O)COCC1(N)CCCCCC1
InChIInChI=1S/C13H26N2O2/c1-2-9-15-12(16)10-17-11-13(14)7-5-3-4-6-8-13/h2-11,14H2,1H3,(H,15,16)
InChIKeyIDHKGOFNPMARRF-UHFFFAOYSA-N
XLogP1.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(1-aminocycloheptyl)methoxy]-N-propylacetamide 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 2-[(1-aminocycloheptyl)methoxy]-N-propylacetamide?
The IUPAC name of 2-[(1-aminocycloheptyl)methoxy]-N-propylacetamide (CID 64548960) is 2-[(1-aminocycloheptyl)methoxy]-N-propylacetamide.
What is the SMILES notation for 2-[(1-aminocycloheptyl)methoxy]-N-propylacetamide?
The canonical SMILES for 2-[(1-aminocycloheptyl)methoxy]-N-propylacetamide is CCCNC(=O)COCC1(N)CCCCCC1.
What is the InChIKey of 2-[(1-aminocycloheptyl)methoxy]-N-propylacetamide?
The InChIKey is IDHKGOFNPMARRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-2-9-15-12(16)10-17-11-13(14)7-5-3-4-6-8-13/h2-11,14H2,1H3,(H,15,16).
What are the key properties of 2-[(1-aminocycloheptyl)methoxy]-N-propylacetamide?
2-[(1-aminocycloheptyl)methoxy]-N-propylacetamide has a molecular weight of 242.36 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-aminocycloheptyl)methoxy]-N-propylacetamide is sourced from PubChem (CID 64548960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).