3-[1-fluoro-3-[2-fluoro-2-[(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)methyl]cyclopropyl]-2-methylpropan-2-yl]-9-methyl-3,9-diazaspiro[5.5]undecane

C28H50F2N4 — CID 170003519

IUPAC3-[1-fluoro-3-[2-fluoro-2-[(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)methyl]cyclopropyl]-2-methylpropan-2-yl]-9-methyl-3,9-diazaspiro[5.5]undecane
SMILESCN1CCC2(CC1)CCN(CC1(F)CC1CC(C)(CF)N1CCC3(CCN(C)CC3)CC1)CC2
InChIInChI=1S/C28H50F2N4/c1-25(22-29,34-18-10-27(11-19-34)6-14-32(3)15-7-27)20-24-21-28(24,30)23-33-16-8-26(9-17-33)4-12-31(2)13-5-26/h24H,4-23H2,1-3H3
InChIKeyLPBYUCMQXGQTMT-UHFFFAOYSA-N
MW480.73 g/mol
LogP4.45
Rot. Bonds6

About 3-[1-fluoro-3-[2-fluoro-2-[(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)methyl]cyclopropyl]-2-methylpropan-2-yl]-9-methyl-3,9-diazaspiro[5.5]undecane

3-[1-fluoro-3-[2-fluoro-2-[(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)methyl]cyclopropyl]-2-methylpropan-2-yl]-9-methyl-3,9-diazaspiro[5.5]undecane (PubChem CID 170003519) has the molecular formula C28H50F2N4 and a molecular weight of 480.73 g/mol. Its IUPAC name is 3-[1-fluoro-3-[2-fluoro-2-[(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)methyl]cyclopropyl]-2-methylpropan-2-yl]-9-methyl-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-[1-fluoro-3-[2-fluoro-2-[(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)methyl]cyclopropyl]-2-methylpropan-2-yl]-9-methyl-3,9-diazaspiro[5.5]undecane
PubChem CID170003519
Molecular FormulaC28H50F2N4
Molecular Weight480.73 g/mol
Exact Mass480.40
IUPAC Name3-[1-fluoro-3-[2-fluoro-2-[(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)methyl]cyclopropyl]-2-methylpropan-2-yl]-9-methyl-3,9-diazaspiro[5.5]undecane
SMILESCN1CCC2(CC1)CCN(CC1(F)CC1CC(C)(CF)N1CCC3(CCN(C)CC3)CC1)CC2
InChIInChI=1S/C28H50F2N4/c1-25(22-29,34-18-10-27(11-19-34)6-14-32(3)15-7-27)20-24-21-28(24,30)23-33-16-8-26(9-17-33)4-12-31(2)13-5-26/h24H,4-23H2,1-3H3
InChIKeyLPBYUCMQXGQTMT-UHFFFAOYSA-N
XLogP4.45
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.73
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-fluoro-3-[2-fluoro-2-[(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)methyl]cyclopropyl]-2-methylpropan-2-yl]-9-methyl-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 3-[1-fluoro-3-[2-fluoro-2-[(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)methyl]cyclopropyl]-2-methylpropan-2-yl]-9-methyl-3,9-diazaspiro[5.5]undecane (CID 170003519) is 3-[1-fluoro-3-[2-fluoro-2-[(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)methyl]cyclopropyl]-2-methylpropan-2-yl]-9-methyl-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-[1-fluoro-3-[2-fluoro-2-[(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)methyl]cyclopropyl]-2-methylpropan-2-yl]-9-methyl-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 3-[1-fluoro-3-[2-fluoro-2-[(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)methyl]cyclopropyl]-2-methylpropan-2-yl]-9-methyl-3,9-diazaspiro[5.5]undecane is CN1CCC2(CC1)CCN(CC1(F)CC1CC(C)(CF)N1CCC3(CCN(C)CC3)CC1)CC2.
What is the InChIKey of 3-[1-fluoro-3-[2-fluoro-2-[(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)methyl]cyclopropyl]-2-methylpropan-2-yl]-9-methyl-3,9-diazaspiro[5.5]undecane?
The InChIKey is LPBYUCMQXGQTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H50F2N4/c1-25(22-29,34-18-10-27(11-19-34)6-14-32(3)15-7-27)20-24-21-28(24,30)23-33-16-8-26(9-17-33)4-12-31(2)13-5-26/h24H,4-23H2,1-3H3.
What are the key properties of 3-[1-fluoro-3-[2-fluoro-2-[(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)methyl]cyclopropyl]-2-methylpropan-2-yl]-9-methyl-3,9-diazaspiro[5.5]undecane?
3-[1-fluoro-3-[2-fluoro-2-[(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)methyl]cyclopropyl]-2-methylpropan-2-yl]-9-methyl-3,9-diazaspiro[5.5]undecane has a molecular weight of 480.73 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-fluoro-3-[2-fluoro-2-[(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)methyl]cyclopropyl]-2-methylpropan-2-yl]-9-methyl-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 170003519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).