3-[(1-fluorocyclopropyl)methyl]-9-methyl-10-(9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecan-10-yl)-3,9-diazaspiro[5.5]undecane

C27H49FN4 — CID 170003469

IUPAC3-[(1-fluorocyclopropyl)methyl]-9-methyl-10-(9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecan-10-yl)-3,9-diazaspiro[5.5]undecane
SMILESCC(C)N1CCC2(CCN(C)C(C3CC4(CCN(CC5(F)CC5)CC4)CCN3C)C2)CC1
InChIInChI=1S/C27H49FN4/c1-22(2)32-17-11-26(12-18-32)8-14-30(4)24(20-26)23-19-25(7-13-29(23)3)9-15-31(16-10-25)21-27(28)5-6-27/h22-24H,5-21H2,1-4H3
InChIKeyLGGBYAJNTKAYCX-UHFFFAOYSA-N
MW448.72 g/mol
LogP4.25
Rot. Bonds4

About 3-[(1-fluorocyclopropyl)methyl]-9-methyl-10-(9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecan-10-yl)-3,9-diazaspiro[5.5]undecane

3-[(1-fluorocyclopropyl)methyl]-9-methyl-10-(9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecan-10-yl)-3,9-diazaspiro[5.5]undecane (PubChem CID 170003469) has the molecular formula C27H49FN4 and a molecular weight of 448.72 g/mol. Its IUPAC name is 3-[(1-fluorocyclopropyl)methyl]-9-methyl-10-(9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecan-10-yl)-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-[(1-fluorocyclopropyl)methyl]-9-methyl-10-(9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecan-10-yl)-3,9-diazaspiro[5.5]undecane
PubChem CID170003469
Molecular FormulaC27H49FN4
Molecular Weight448.72 g/mol
Exact Mass448.39
IUPAC Name3-[(1-fluorocyclopropyl)methyl]-9-methyl-10-(9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecan-10-yl)-3,9-diazaspiro[5.5]undecane
SMILESCC(C)N1CCC2(CCN(C)C(C3CC4(CCN(CC5(F)CC5)CC4)CCN3C)C2)CC1
InChIInChI=1S/C27H49FN4/c1-22(2)32-17-11-26(12-18-32)8-14-30(4)24(20-26)23-19-25(7-13-29(23)3)9-15-31(16-10-25)21-27(28)5-6-27/h22-24H,5-21H2,1-4H3
InChIKeyLGGBYAJNTKAYCX-UHFFFAOYSA-N
XLogP4.25
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.72
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[(1-fluorocyclopropyl)methyl]-9-methyl-10-(9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecan-10-yl)-3,9-diazaspiro[5.5]undecane with MolForge

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Related Compounds

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CID 171748309
CID 171748309
CID 171748519
CID 171748519
CID 174276167
CID 174276167
CID 174347907
CID 174347907
CID 134591073
CID 134591073
CID 146332077
CID 146332077
CID 155459364
CID 155459364
CID 159548459
CID 159548459

Frequently Asked Questions

What is the IUPAC name of 3-[(1-fluorocyclopropyl)methyl]-9-methyl-10-(9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecan-10-yl)-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 3-[(1-fluorocyclopropyl)methyl]-9-methyl-10-(9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecan-10-yl)-3,9-diazaspiro[5.5]undecane (CID 170003469) is 3-[(1-fluorocyclopropyl)methyl]-9-methyl-10-(9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecan-10-yl)-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-[(1-fluorocyclopropyl)methyl]-9-methyl-10-(9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecan-10-yl)-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 3-[(1-fluorocyclopropyl)methyl]-9-methyl-10-(9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecan-10-yl)-3,9-diazaspiro[5.5]undecane is CC(C)N1CCC2(CCN(C)C(C3CC4(CCN(CC5(F)CC5)CC4)CCN3C)C2)CC1.
What is the InChIKey of 3-[(1-fluorocyclopropyl)methyl]-9-methyl-10-(9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecan-10-yl)-3,9-diazaspiro[5.5]undecane?
The InChIKey is LGGBYAJNTKAYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H49FN4/c1-22(2)32-17-11-26(12-18-32)8-14-30(4)24(20-26)23-19-25(7-13-29(23)3)9-15-31(16-10-25)21-27(28)5-6-27/h22-24H,5-21H2,1-4H3.
What are the key properties of 3-[(1-fluorocyclopropyl)methyl]-9-methyl-10-(9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecan-10-yl)-3,9-diazaspiro[5.5]undecane?
3-[(1-fluorocyclopropyl)methyl]-9-methyl-10-(9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecan-10-yl)-3,9-diazaspiro[5.5]undecane has a molecular weight of 448.72 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-fluorocyclopropyl)methyl]-9-methyl-10-(9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecan-10-yl)-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 170003469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).