3-ethoxy-N-(3-fluoropropyl)cyclobutan-1-amine

C9H18FNO — CID 103917820

IUPAC3-ethoxy-N-(3-fluoropropyl)cyclobutan-1-amine
SMILESCCOC1CC(NCCCF)C1
InChIInChI=1S/C9H18FNO/c1-2-12-9-6-8(7-9)11-5-3-4-10/h8-9,11H,2-7H2,1H3
InChIKeyXZEOFSYGPOEFLO-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.50
Rot. Bonds6

About 3-ethoxy-N-(3-fluoropropyl)cyclobutan-1-amine

3-ethoxy-N-(3-fluoropropyl)cyclobutan-1-amine (PubChem CID 103917820) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 3-ethoxy-N-(3-fluoropropyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(3-fluoropropyl)cyclobutan-1-amine
PubChem CID103917820
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name3-ethoxy-N-(3-fluoropropyl)cyclobutan-1-amine
SMILESCCOC1CC(NCCCF)C1
InChIInChI=1S/C9H18FNO/c1-2-12-9-6-8(7-9)11-5-3-4-10/h8-9,11H,2-7H2,1H3
InChIKeyXZEOFSYGPOEFLO-UHFFFAOYSA-N
XLogP1.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-ethoxy-N-(3-fluoropropyl)cyclobutan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

rac-(1r,3r)-3-methoxy-N-methylcyclobutan-1-amine
CID 55295891
N-methyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine
CID 66356960
2-fluoro-2-methyl-N-propan-2-yl-3-propan-2-yloxypropan-1-amine
CID 134581779
N-methyl-3-(trifluoromethoxy)cyclobutan-1-amine
CID 155122294
N-propan-2-yl-3-(trifluoromethoxy)cyclobutan-1-amine
CID 155138949
4,4,4-trifluoro-3-methoxy-N-propan-2-ylbutan-1-amine
CID 155139108
3-[3-[[(1R,2S)-2-fluorocyclopropyl]amino]butoxy]-N-propan-2-ylcyclobutan-1-amine
CID 170154282
N-ethyl-3-(trifluoromethoxy)cyclobutan-1-amine
CID 170420954
cis-(1R,2S)-2-(2,2-difluoroethoxy)-N-propan-2-ylcyclobutan-1-amine
CID 172108694
2-(2,2-difluoroethoxy)-N-propan-2-ylcyclobutan-1-amine
CID 172108835
cis-(1S,2R)-2-(2,2-difluoroethoxy)-N-propan-2-ylcyclobutan-1-amine
CID 172108866
N-propylcyclobutanamine;1-(trifluoromethoxy)butane
CID 172335452

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(3-fluoropropyl)cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-N-(3-fluoropropyl)cyclobutan-1-amine (CID 103917820) is 3-ethoxy-N-(3-fluoropropyl)cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(3-fluoropropyl)cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-N-(3-fluoropropyl)cyclobutan-1-amine is CCOC1CC(NCCCF)C1.
What is the InChIKey of 3-ethoxy-N-(3-fluoropropyl)cyclobutan-1-amine?
The InChIKey is XZEOFSYGPOEFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-2-12-9-6-8(7-9)11-5-3-4-10/h8-9,11H,2-7H2,1H3.
What are the key properties of 3-ethoxy-N-(3-fluoropropyl)cyclobutan-1-amine?
3-ethoxy-N-(3-fluoropropyl)cyclobutan-1-amine has a molecular weight of 175.25 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(3-fluoropropyl)cyclobutan-1-amine is sourced from PubChem (CID 103917820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).