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

C14H25FN2O — CID 178010653

IUPAC2-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-N-propan-2-ylcyclohexan-1-amine
SMILESCC(C)NC1CCC(N2CC3(COC3)C2)CC1F
InChIInChI=1S/C14H25FN2O/c1-10(2)16-13-4-3-11(5-12(13)15)17-6-14(7-17)8-18-9-14/h10-13,16H,3-9H2,1-2H3
InChIKeyZNONBFQXYBJRKA-UHFFFAOYSA-N
MW256.36 g/mol
LogP1.58
Rot. Bonds3

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

2-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-N-propan-2-ylcyclohexan-1-amine (PubChem CID 178010653) has the molecular formula C14H25FN2O and a molecular weight of 256.36 g/mol. Its IUPAC name is 2-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-N-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-N-propan-2-ylcyclohexan-1-amine
PubChem CID178010653
Molecular FormulaC14H25FN2O
Molecular Weight256.36 g/mol
Exact Mass256.20
IUPAC Name2-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-N-propan-2-ylcyclohexan-1-amine
SMILESCC(C)NC1CCC(N2CC3(COC3)C2)CC1F
InChIInChI=1S/C14H25FN2O/c1-10(2)16-13-4-3-11(5-12(13)15)17-6-14(7-17)8-18-9-14/h10-13,16H,3-9H2,1-2H3
InChIKeyZNONBFQXYBJRKA-UHFFFAOYSA-N
XLogP1.58
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.36
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-N-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-N-propan-2-ylcyclohexan-1-amine (CID 178010653) is 2-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-N-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-N-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-N-propan-2-ylcyclohexan-1-amine is CC(C)NC1CCC(N2CC3(COC3)C2)CC1F.
What is the InChIKey of 2-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-N-propan-2-ylcyclohexan-1-amine?
The InChIKey is ZNONBFQXYBJRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25FN2O/c1-10(2)16-13-4-3-11(5-12(13)15)17-6-14(7-17)8-18-9-14/h10-13,16H,3-9H2,1-2H3.
What are the key properties of 2-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-N-propan-2-ylcyclohexan-1-amine?
2-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-N-propan-2-ylcyclohexan-1-amine has a molecular weight of 256.36 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-N-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 178010653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).