(4S)-3-fluoro-8-propan-2-yl-2-oxa-8-azaspiro[4.5]decan-4-amine

C11H21FN2O — CID 162492890

IUPAC(4S)-3-fluoro-8-propan-2-yl-2-oxa-8-azaspiro[4.5]decan-4-amine
SMILESCC(C)N1CCC2(CC1)COC(F)[C@H]2N
InChIInChI=1S/C11H21FN2O/c1-8(2)14-5-3-11(4-6-14)7-15-10(12)9(11)13/h8-10H,3-7,13H2,1-2H3/t9-,10?/m1/s1
InChIKeyYJYZDSPYIKXLIS-YHMJZVADSA-N
MW216.30 g/mol
LogP1.13
Rot. Bonds1

About (4S)-3-fluoro-8-propan-2-yl-2-oxa-8-azaspiro[4.5]decan-4-amine

(4S)-3-fluoro-8-propan-2-yl-2-oxa-8-azaspiro[4.5]decan-4-amine (PubChem CID 162492890) has the molecular formula C11H21FN2O and a molecular weight of 216.30 g/mol. Its IUPAC name is (4S)-3-fluoro-8-propan-2-yl-2-oxa-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name(4S)-3-fluoro-8-propan-2-yl-2-oxa-8-azaspiro[4.5]decan-4-amine
PubChem CID162492890
Molecular FormulaC11H21FN2O
Molecular Weight216.30 g/mol
Exact Mass216.16
IUPAC Name(4S)-3-fluoro-8-propan-2-yl-2-oxa-8-azaspiro[4.5]decan-4-amine
SMILESCC(C)N1CCC2(CC1)COC(F)[C@H]2N
InChIInChI=1S/C11H21FN2O/c1-8(2)14-5-3-11(4-6-14)7-15-10(12)9(11)13/h8-10H,3-7,13H2,1-2H3/t9-,10?/m1/s1
InChIKeyYJYZDSPYIKXLIS-YHMJZVADSA-N
XLogP1.13
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4S)-3-Methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 118247929
8-Fluoro-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 142484627
(R)-N-[(3R,4S)-3-fluoro-2-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide
CID 156102020
(R)-N-[(3S,4S)-3-fluoro-2-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide
CID 156624884
1-[4-(Trifluoromethyl)-1-[5-(trifluoromethyl)oxolan-3-yl]piperidin-4-yl]ethanamine
CID 170588882
1-[1-(Oxolan-3-yl)-4-(trifluoromethyl)piperidin-4-yl]propan-1-amine
CID 170588948
tert-butyl-[[(3R,4S)-3-fluoro-2-oxa-8-azaspiro[4.5]decan-4-yl]amino]-oxidosulfanium
CID 173922917
4-Methyl-4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine
CID 66264074
4-Methyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine
CID 66264075
4-[(4-Fluoropiperidin-1-yl)methyl]oxolan-3-amine
CID 164659496
1-(2-Oxa-8-azaspiro[4.5]decan-8-yl)propan-2-amine
CID 69004966
(3R,4S)-3-Methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 118248014

Frequently Asked Questions

What is the IUPAC name of (4S)-3-fluoro-8-propan-2-yl-2-oxa-8-azaspiro[4.5]decan-4-amine?
The IUPAC name of (4S)-3-fluoro-8-propan-2-yl-2-oxa-8-azaspiro[4.5]decan-4-amine (CID 162492890) is (4S)-3-fluoro-8-propan-2-yl-2-oxa-8-azaspiro[4.5]decan-4-amine.
What is the SMILES notation for (4S)-3-fluoro-8-propan-2-yl-2-oxa-8-azaspiro[4.5]decan-4-amine?
The canonical SMILES for (4S)-3-fluoro-8-propan-2-yl-2-oxa-8-azaspiro[4.5]decan-4-amine is CC(C)N1CCC2(CC1)COC(F)[C@H]2N.
What is the InChIKey of (4S)-3-fluoro-8-propan-2-yl-2-oxa-8-azaspiro[4.5]decan-4-amine?
The InChIKey is YJYZDSPYIKXLIS-YHMJZVADSA-N. The full InChI is InChI=1S/C11H21FN2O/c1-8(2)14-5-3-11(4-6-14)7-15-10(12)9(11)13/h8-10H,3-7,13H2,1-2H3/t9-,10?/m1/s1.
What are the key properties of (4S)-3-fluoro-8-propan-2-yl-2-oxa-8-azaspiro[4.5]decan-4-amine?
(4S)-3-fluoro-8-propan-2-yl-2-oxa-8-azaspiro[4.5]decan-4-amine has a molecular weight of 216.30 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-fluoro-8-propan-2-yl-2-oxa-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 162492890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).