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

C14H25FN2O — CID 178011742

IUPAC2-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(N2CC3(COC3)C2)CC1F
InChIInChI=1S/C14H25FN2O/c1-2-5-16-13-4-3-11(6-12(13)15)17-7-14(8-17)9-18-10-14/h11-13,16H,2-10H2,1H3
InChIKeyYEKZKZNMNFDABA-UHFFFAOYSA-N
MW256.36 g/mol
LogP1.58
Rot. Bonds4

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

2-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-N-propylcyclohexan-1-amine (PubChem CID 178011742) 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-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-N-propylcyclohexan-1-amine
PubChem CID178011742
Molecular FormulaC14H25FN2O
Molecular Weight256.36 g/mol
Exact Mass256.20
IUPAC Name2-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(N2CC3(COC3)C2)CC1F
InChIInChI=1S/C14H25FN2O/c1-2-5-16-13-4-3-11(6-12(13)15)17-7-14(8-17)9-18-10-14/h11-13,16H,2-10H2,1H3
InChIKeyYEKZKZNMNFDABA-UHFFFAOYSA-N
XLogP1.58
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

Analyze 2-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-N-propylcyclohexan-1-amine with MolForge

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Related Compounds

2-fluoro-N-methyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine
CID 178010190
2-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-N-propan-2-ylcyclohexan-1-amine
CID 178010653
(1R,2S,4R)-2-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine
CID 178547340
(1S,2R,4S)-2-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine
CID 178547818
4-fluoro-N-[(3-methyloxetan-3-yl)methyl]cyclohexan-1-amine
CID 130943889
6-(3-Fluoropiperidin-4-yl)-2-oxa-6-azaspiro[3.3]heptane
CID 164658645
N-ethyl-2-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine
CID 178010364
4-N-[(3-methyloxetan-3-yl)methyl]cyclohexane-1,4-diamine
CID 80130632
(1r,4r)-4-{2-Oxa-6-azaspiro[3.3]heptan-6-yl}cyclohexan-1-amine
CID 142544453
N-methyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine
CID 156712169
Acetylene;cyclohexanamine;2-oxa-6-azaspiro[3.3]heptane
CID 156712502
Cyclohexanamine;6-methyl-2-oxa-6-azaspiro[3.3]heptane
CID 156712524

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-N-propylcyclohexan-1-amine?
The IUPAC name of 2-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-N-propylcyclohexan-1-amine (CID 178011742) is 2-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-N-propylcyclohexan-1-amine is CCCNC1CCC(N2CC3(COC3)C2)CC1F.
What is the InChIKey of 2-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-N-propylcyclohexan-1-amine?
The InChIKey is YEKZKZNMNFDABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25FN2O/c1-2-5-16-13-4-3-11(6-12(13)15)17-7-14(8-17)9-18-10-14/h11-13,16H,2-10H2,1H3.
What are the key properties of 2-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-N-propylcyclohexan-1-amine?
2-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-N-propylcyclohexan-1-amine has a molecular weight of 256.36 g/mol, XLogP of 1.58, 4 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-propylcyclohexan-1-amine is sourced from PubChem (CID 178011742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).