N-[(3-amino-1-fluorocyclopentyl)methyl]oxan-3-amine

C11H21FN2O — CID 105470261

IUPACN-[(3-amino-1-fluorocyclopentyl)methyl]oxan-3-amine
SMILESNC1CCC(F)(CNC2CCCOC2)C1
InChIInChI=1S/C11H21FN2O/c12-11(4-3-9(13)6-11)8-14-10-2-1-5-15-7-10/h9-10,14H,1-8,13H2
InChIKeyOTCMYFAQMRHWBG-UHFFFAOYSA-N
MW216.30 g/mol
LogP0.97
Rot. Bonds3

About N-[(3-amino-1-fluorocyclopentyl)methyl]oxan-3-amine

N-[(3-amino-1-fluorocyclopentyl)methyl]oxan-3-amine (PubChem CID 105470261) has the molecular formula C11H21FN2O and a molecular weight of 216.30 g/mol. Its IUPAC name is N-[(3-amino-1-fluorocyclopentyl)methyl]oxan-3-amine.

Molecular Properties

Compound NameN-[(3-amino-1-fluorocyclopentyl)methyl]oxan-3-amine
PubChem CID105470261
Molecular FormulaC11H21FN2O
Molecular Weight216.30 g/mol
Exact Mass216.16
IUPAC NameN-[(3-amino-1-fluorocyclopentyl)methyl]oxan-3-amine
SMILESNC1CCC(F)(CNC2CCCOC2)C1
InChIInChI=1S/C11H21FN2O/c12-11(4-3-9(13)6-11)8-14-10-2-1-5-15-7-10/h9-10,14H,1-8,13H2
InChIKeyOTCMYFAQMRHWBG-UHFFFAOYSA-N
XLogP0.97
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3-amino-1-fluorocyclopentyl)methyl]oxan-3-amine 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 N-[(3-amino-1-fluorocyclopentyl)methyl]oxan-3-amine?
The IUPAC name of N-[(3-amino-1-fluorocyclopentyl)methyl]oxan-3-amine (CID 105470261) is N-[(3-amino-1-fluorocyclopentyl)methyl]oxan-3-amine.
What is the SMILES notation for N-[(3-amino-1-fluorocyclopentyl)methyl]oxan-3-amine?
The canonical SMILES for N-[(3-amino-1-fluorocyclopentyl)methyl]oxan-3-amine is NC1CCC(F)(CNC2CCCOC2)C1.
What is the InChIKey of N-[(3-amino-1-fluorocyclopentyl)methyl]oxan-3-amine?
The InChIKey is OTCMYFAQMRHWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2O/c12-11(4-3-9(13)6-11)8-14-10-2-1-5-15-7-10/h9-10,14H,1-8,13H2.
What are the key properties of N-[(3-amino-1-fluorocyclopentyl)methyl]oxan-3-amine?
N-[(3-amino-1-fluorocyclopentyl)methyl]oxan-3-amine has a molecular weight of 216.30 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-1-fluorocyclopentyl)methyl]oxan-3-amine is sourced from PubChem (CID 105470261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).