3-fluoro-9-methyl-3,9-diazaspiro[5.5]undecane

C10H19FN2 — CID 156707007

IUPAC3-fluoro-9-methyl-3,9-diazaspiro[5.5]undecane
SMILESCN1CCC2(CC1)CCN(F)CC2
InChIInChI=1S/C10H19FN2/c1-12-6-2-10(3-7-12)4-8-13(11)9-5-10/h2-9H2,1H3
InChIKeyJTJLDVDIEZNUHH-UHFFFAOYSA-N
MW186.27 g/mol
LogP1.68
Rot. Bonds

About 3-fluoro-9-methyl-3,9-diazaspiro[5.5]undecane

3-fluoro-9-methyl-3,9-diazaspiro[5.5]undecane (PubChem CID 156707007) has the molecular formula C10H19FN2 and a molecular weight of 186.27 g/mol. Its IUPAC name is 3-fluoro-9-methyl-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-fluoro-9-methyl-3,9-diazaspiro[5.5]undecane
PubChem CID156707007
Molecular FormulaC10H19FN2
Molecular Weight186.27 g/mol
Exact Mass186.15
IUPAC Name3-fluoro-9-methyl-3,9-diazaspiro[5.5]undecane
SMILESCN1CCC2(CC1)CCN(F)CC2
InChIInChI=1S/C10H19FN2/c1-12-6-2-10(3-7-12)4-8-13(11)9-5-10/h2-9H2,1H3
InChIKeyJTJLDVDIEZNUHH-UHFFFAOYSA-N
XLogP1.68
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

1-Azabicyclo[2.2.2]octane, 4-ethyl-
CID 142666
2-Fluoro-8-methyl-2,8-diazaspiro[4.5]decane
CID 142397479
1-Ethyl-4-[2-(1-fluoropiperidin-4-yl)ethyl]piperazine
CID 145302364
3-(Fluoromethyl)-9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane
CID 155455307
3-Iodo-9-(2,2,2-trifluoroethyl)-3,9-diazaspiro[5.5]undecane
CID 158989803
3-(2,2-Difluoroethyl)-9-methyl-3,9-diazaspiro[5.5]undecane
CID 159839871
(3R,4S)-3-fluoro-1-methyl-4-[(4-methylpiperidin-1-yl)methyl]piperidine
CID 162741487
3-(2-Fluoroethyl)-9-methyl-3,9-diazaspiro[5.5]undecane
CID 164871071
1-Ethyl-4-[(3-fluoropiperidin-1-yl)methyl]piperidine
CID 166113279
(3S,4R)-4-ethyl-3-fluoro-1-[(1-methylpiperidin-4-yl)methyl]piperidine
CID 166113382
(3R)-3-fluoro-4-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperidine
CID 166536763
(3R,4S)-3-fluoro-4-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperidine
CID 166536908

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-9-methyl-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 3-fluoro-9-methyl-3,9-diazaspiro[5.5]undecane (CID 156707007) is 3-fluoro-9-methyl-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-fluoro-9-methyl-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 3-fluoro-9-methyl-3,9-diazaspiro[5.5]undecane is CN1CCC2(CC1)CCN(F)CC2.
What is the InChIKey of 3-fluoro-9-methyl-3,9-diazaspiro[5.5]undecane?
The InChIKey is JTJLDVDIEZNUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2/c1-12-6-2-10(3-7-12)4-8-13(11)9-5-10/h2-9H2,1H3.
What are the key properties of 3-fluoro-9-methyl-3,9-diazaspiro[5.5]undecane?
3-fluoro-9-methyl-3,9-diazaspiro[5.5]undecane has a molecular weight of 186.27 g/mol, XLogP of 1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-9-methyl-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 156707007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).