10-(3-fluoropropyl)-9-methyl-6,10-diazaspiro[4.6]undecane

C13H25FN2 — CID 81113015

IUPAC10-(3-fluoropropyl)-9-methyl-6,10-diazaspiro[4.6]undecane
SMILESCC1CCNC2(CCCC2)CN1CCCF
InChIInChI=1S/C13H25FN2/c1-12-5-9-15-13(6-2-3-7-13)11-16(12)10-4-8-14/h12,15H,2-11H2,1H3
InChIKeyKSSXBRIYGXJURD-UHFFFAOYSA-N
MW228.35 g/mol
LogP2.34
Rot. Bonds3

About 10-(3-fluoropropyl)-9-methyl-6,10-diazaspiro[4.6]undecane

10-(3-fluoropropyl)-9-methyl-6,10-diazaspiro[4.6]undecane (PubChem CID 81113015) has the molecular formula C13H25FN2 and a molecular weight of 228.35 g/mol. Its IUPAC name is 10-(3-fluoropropyl)-9-methyl-6,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name10-(3-fluoropropyl)-9-methyl-6,10-diazaspiro[4.6]undecane
PubChem CID81113015
Molecular FormulaC13H25FN2
Molecular Weight228.35 g/mol
Exact Mass228.20
IUPAC Name10-(3-fluoropropyl)-9-methyl-6,10-diazaspiro[4.6]undecane
SMILESCC1CCNC2(CCCC2)CN1CCCF
InChIInChI=1S/C13H25FN2/c1-12-5-9-15-13(6-2-3-7-13)11-16(12)10-4-8-14/h12,15H,2-11H2,1H3
InChIKeyKSSXBRIYGXJURD-UHFFFAOYSA-N
XLogP2.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-(3-fluoropropyl)-9-methyl-6,10-diazaspiro[4.6]undecane?
The IUPAC name of 10-(3-fluoropropyl)-9-methyl-6,10-diazaspiro[4.6]undecane (CID 81113015) is 10-(3-fluoropropyl)-9-methyl-6,10-diazaspiro[4.6]undecane.
What is the SMILES notation for 10-(3-fluoropropyl)-9-methyl-6,10-diazaspiro[4.6]undecane?
The canonical SMILES for 10-(3-fluoropropyl)-9-methyl-6,10-diazaspiro[4.6]undecane is CC1CCNC2(CCCC2)CN1CCCF.
What is the InChIKey of 10-(3-fluoropropyl)-9-methyl-6,10-diazaspiro[4.6]undecane?
The InChIKey is KSSXBRIYGXJURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25FN2/c1-12-5-9-15-13(6-2-3-7-13)11-16(12)10-4-8-14/h12,15H,2-11H2,1H3.
What are the key properties of 10-(3-fluoropropyl)-9-methyl-6,10-diazaspiro[4.6]undecane?
10-(3-fluoropropyl)-9-methyl-6,10-diazaspiro[4.6]undecane has a molecular weight of 228.35 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-fluoropropyl)-9-methyl-6,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 81113015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).