9-(3-fluoro-5-methylphenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane

C18H27FN2 — CID 79046276

IUPAC9-(3-fluoro-5-methylphenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
SMILESCc1cc(F)cc(N2CC3(CCCC3)NCC2C(C)C)c1
InChIInChI=1S/C18H27FN2/c1-13(2)17-11-20-18(6-4-5-7-18)12-21(17)16-9-14(3)8-15(19)10-16/h8-10,13,17,20H,4-7,11-12H2,1-3H3
InChIKeyRNSMWUJISPIION-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.88
Rot. Bonds2

About 9-(3-fluoro-5-methylphenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane

9-(3-fluoro-5-methylphenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane (PubChem CID 79046276) has the molecular formula C18H27FN2 and a molecular weight of 290.43 g/mol. Its IUPAC name is 9-(3-fluoro-5-methylphenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-(3-fluoro-5-methylphenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
PubChem CID79046276
Molecular FormulaC18H27FN2
Molecular Weight290.43 g/mol
Exact Mass290.22
IUPAC Name9-(3-fluoro-5-methylphenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
SMILESCc1cc(F)cc(N2CC3(CCCC3)NCC2C(C)C)c1
InChIInChI=1S/C18H27FN2/c1-13(2)17-11-20-18(6-4-5-7-18)12-21(17)16-9-14(3)8-15(19)10-16/h8-10,13,17,20H,4-7,11-12H2,1-3H3
InChIKeyRNSMWUJISPIION-UHFFFAOYSA-N
XLogP3.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-fluorophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64932927
9-(3-methylphenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64932826
9-(3,4-dimethylphenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64931469
8-ethyl-9-(3-fluoro-5-methylphenyl)-6,9-diazaspiro[4.5]decane
CID 79046966
4-(4-bromophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64935285
4-(4-chlorophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64934091
9-(4-chloro-2-fluorophenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64948555
9-(1-methylpyrazol-3-yl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 79785950
4-(2-bromophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64934711
9-[(3-methylphenyl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64875834
9-(2-chloro-4,6-difluorophenyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 83082636
8-propan-2-yl-9-(2,2,3,3-tetramethylcyclopropyl)-6,9-diazaspiro[4.5]decane
CID 79350195

Frequently Asked Questions

What is the IUPAC name of 9-(3-fluoro-5-methylphenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
The IUPAC name of 9-(3-fluoro-5-methylphenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane (CID 79046276) is 9-(3-fluoro-5-methylphenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-(3-fluoro-5-methylphenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-(3-fluoro-5-methylphenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane is Cc1cc(F)cc(N2CC3(CCCC3)NCC2C(C)C)c1.
What is the InChIKey of 9-(3-fluoro-5-methylphenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
The InChIKey is RNSMWUJISPIION-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2/c1-13(2)17-11-20-18(6-4-5-7-18)12-21(17)16-9-14(3)8-15(19)10-16/h8-10,13,17,20H,4-7,11-12H2,1-3H3.
What are the key properties of 9-(3-fluoro-5-methylphenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
9-(3-fluoro-5-methylphenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane has a molecular weight of 290.43 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-fluoro-5-methylphenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 79046276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).