1-[[4-[3-(1-fluoro-2-methylpropan-2-yl)-9-methyl-3,9-diazaspiro[5.5]undecan-4-yl]-9-methyl-3,9-diazaspiro[5.5]undecan-3-yl]methyl]cyclopropane-1-carbonitrile

C29H50FN5 — CID 170003472

IUPAC1-[[4-[3-(1-fluoro-2-methylpropan-2-yl)-9-methyl-3,9-diazaspiro[5.5]undecan-4-yl]-9-methyl-3,9-diazaspiro[5.5]undecan-3-yl]methyl]cyclopropane-1-carbonitrile
SMILESCN1CCC2(CC1)CCN(CC1(C#N)CC1)C(C1CC3(CCN(C)CC3)CCN1C(C)(C)CF)C2
InChIInChI=1S/C29H50FN5/c1-26(2,21-30)35-18-12-28(9-15-33(4)16-10-28)20-25(35)24-19-27(7-13-32(3)14-8-27)11-17-34(24)23-29(22-31)5-6-29/h24-25H,5-21,23H2,1-4H3
InChIKeyCUCCXDKDYYNXLX-UHFFFAOYSA-N
MW487.75 g/mol
LogP4.39
Rot. Bonds5

About 1-[[4-[3-(1-fluoro-2-methylpropan-2-yl)-9-methyl-3,9-diazaspiro[5.5]undecan-4-yl]-9-methyl-3,9-diazaspiro[5.5]undecan-3-yl]methyl]cyclopropane-1-carbonitrile

1-[[4-[3-(1-fluoro-2-methylpropan-2-yl)-9-methyl-3,9-diazaspiro[5.5]undecan-4-yl]-9-methyl-3,9-diazaspiro[5.5]undecan-3-yl]methyl]cyclopropane-1-carbonitrile (PubChem CID 170003472) has the molecular formula C29H50FN5 and a molecular weight of 487.75 g/mol. Its IUPAC name is 1-[[4-[3-(1-fluoro-2-methylpropan-2-yl)-9-methyl-3,9-diazaspiro[5.5]undecan-4-yl]-9-methyl-3,9-diazaspiro[5.5]undecan-3-yl]methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[[4-[3-(1-fluoro-2-methylpropan-2-yl)-9-methyl-3,9-diazaspiro[5.5]undecan-4-yl]-9-methyl-3,9-diazaspiro[5.5]undecan-3-yl]methyl]cyclopropane-1-carbonitrile
PubChem CID170003472
Molecular FormulaC29H50FN5
Molecular Weight487.75 g/mol
Exact Mass487.41
IUPAC Name1-[[4-[3-(1-fluoro-2-methylpropan-2-yl)-9-methyl-3,9-diazaspiro[5.5]undecan-4-yl]-9-methyl-3,9-diazaspiro[5.5]undecan-3-yl]methyl]cyclopropane-1-carbonitrile
SMILESCN1CCC2(CC1)CCN(CC1(C#N)CC1)C(C1CC3(CCN(C)CC3)CCN1C(C)(C)CF)C2
InChIInChI=1S/C29H50FN5/c1-26(2,21-30)35-18-12-28(9-15-33(4)16-10-28)20-25(35)24-19-27(7-13-32(3)14-8-27)11-17-34(24)23-29(22-31)5-6-29/h24-25H,5-21,23H2,1-4H3
InChIKeyCUCCXDKDYYNXLX-UHFFFAOYSA-N
XLogP4.39
TPSA36.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.75
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[[4-[3-(1-fluoro-2-methylpropan-2-yl)-9-methyl-3,9-diazaspiro[5.5]undecan-4-yl]-9-methyl-3,9-diazaspiro[5.5]undecan-3-yl]methyl]cyclopropane-1-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[3-(1-fluoro-2-methylpropan-2-yl)-9-methyl-3,9-diazaspiro[5.5]undecan-4-yl]-9-methyl-3,9-diazaspiro[5.5]undecan-3-yl]methyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[[4-[3-(1-fluoro-2-methylpropan-2-yl)-9-methyl-3,9-diazaspiro[5.5]undecan-4-yl]-9-methyl-3,9-diazaspiro[5.5]undecan-3-yl]methyl]cyclopropane-1-carbonitrile (CID 170003472) is 1-[[4-[3-(1-fluoro-2-methylpropan-2-yl)-9-methyl-3,9-diazaspiro[5.5]undecan-4-yl]-9-methyl-3,9-diazaspiro[5.5]undecan-3-yl]methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[[4-[3-(1-fluoro-2-methylpropan-2-yl)-9-methyl-3,9-diazaspiro[5.5]undecan-4-yl]-9-methyl-3,9-diazaspiro[5.5]undecan-3-yl]methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[[4-[3-(1-fluoro-2-methylpropan-2-yl)-9-methyl-3,9-diazaspiro[5.5]undecan-4-yl]-9-methyl-3,9-diazaspiro[5.5]undecan-3-yl]methyl]cyclopropane-1-carbonitrile is CN1CCC2(CC1)CCN(CC1(C#N)CC1)C(C1CC3(CCN(C)CC3)CCN1C(C)(C)CF)C2.
What is the InChIKey of 1-[[4-[3-(1-fluoro-2-methylpropan-2-yl)-9-methyl-3,9-diazaspiro[5.5]undecan-4-yl]-9-methyl-3,9-diazaspiro[5.5]undecan-3-yl]methyl]cyclopropane-1-carbonitrile?
The InChIKey is CUCCXDKDYYNXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H50FN5/c1-26(2,21-30)35-18-12-28(9-15-33(4)16-10-28)20-25(35)24-19-27(7-13-32(3)14-8-27)11-17-34(24)23-29(22-31)5-6-29/h24-25H,5-21,23H2,1-4H3.
What are the key properties of 1-[[4-[3-(1-fluoro-2-methylpropan-2-yl)-9-methyl-3,9-diazaspiro[5.5]undecan-4-yl]-9-methyl-3,9-diazaspiro[5.5]undecan-3-yl]methyl]cyclopropane-1-carbonitrile?
1-[[4-[3-(1-fluoro-2-methylpropan-2-yl)-9-methyl-3,9-diazaspiro[5.5]undecan-4-yl]-9-methyl-3,9-diazaspiro[5.5]undecan-3-yl]methyl]cyclopropane-1-carbonitrile has a molecular weight of 487.75 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[3-(1-fluoro-2-methylpropan-2-yl)-9-methyl-3,9-diazaspiro[5.5]undecan-4-yl]-9-methyl-3,9-diazaspiro[5.5]undecan-3-yl]methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 170003472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).