2-fluoro-N-methyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine

C12H21FN2O — CID 178010190

IUPAC2-fluoro-N-methyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine
SMILESCNC1CCC(N2CC3(COC3)C2)CC1F
InChIInChI=1S/C12H21FN2O/c1-14-11-3-2-9(4-10(11)13)15-5-12(6-15)7-16-8-12/h9-11,14H,2-8H2,1H3
InChIKeyWKIVSMVTPHNTRG-UHFFFAOYSA-N
MW228.31 g/mol
LogP0.80
Rot. Bonds2

About 2-fluoro-N-methyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine

2-fluoro-N-methyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine (PubChem CID 178010190) has the molecular formula C12H21FN2O and a molecular weight of 228.31 g/mol. Its IUPAC name is 2-fluoro-N-methyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-fluoro-N-methyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine
PubChem CID178010190
Molecular FormulaC12H21FN2O
Molecular Weight228.31 g/mol
Exact Mass228.16
IUPAC Name2-fluoro-N-methyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine
SMILESCNC1CCC(N2CC3(COC3)C2)CC1F
InChIInChI=1S/C12H21FN2O/c1-14-11-3-2-9(4-10(11)13)15-5-12(6-15)7-16-8-12/h9-11,14H,2-8H2,1H3
InChIKeyWKIVSMVTPHNTRG-UHFFFAOYSA-N
XLogP0.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine?
The IUPAC name of 2-fluoro-N-methyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine (CID 178010190) is 2-fluoro-N-methyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine.
What is the SMILES notation for 2-fluoro-N-methyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine?
The canonical SMILES for 2-fluoro-N-methyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine is CNC1CCC(N2CC3(COC3)C2)CC1F.
What is the InChIKey of 2-fluoro-N-methyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine?
The InChIKey is WKIVSMVTPHNTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FN2O/c1-14-11-3-2-9(4-10(11)13)15-5-12(6-15)7-16-8-12/h9-11,14H,2-8H2,1H3.
What are the key properties of 2-fluoro-N-methyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine?
2-fluoro-N-methyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine has a molecular weight of 228.31 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine is sourced from PubChem (CID 178010190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).