1-[2-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]ethyl]cyclobutane-1-carbonitrile

C24H35N3 — CID 118662456

IUPAC1-[2-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]ethyl]cyclobutane-1-carbonitrile
SMILESCN(C)C1(c2ccccc2)CCC2(CCN(CCC3(C#N)CCC3)C2)CC1
InChIInChI=1S/C24H35N3/c1-26(2)24(21-7-4-3-5-8-21)13-11-23(12-14-24)16-18-27(20-23)17-15-22(19-25)9-6-10-22/h3-5,7-8H,6,9-18,20H2,1-2H3
InChIKeyWDSLYWQYIJTXKC-UHFFFAOYSA-N
MW365.57 g/mol
LogP4.79
Rot. Bonds5

About 1-[2-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]ethyl]cyclobutane-1-carbonitrile

1-[2-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]ethyl]cyclobutane-1-carbonitrile (PubChem CID 118662456) has the molecular formula C24H35N3 and a molecular weight of 365.57 g/mol. Its IUPAC name is 1-[2-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]ethyl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[2-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]ethyl]cyclobutane-1-carbonitrile
PubChem CID118662456
Molecular FormulaC24H35N3
Molecular Weight365.57 g/mol
Exact Mass365.28
IUPAC Name1-[2-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]ethyl]cyclobutane-1-carbonitrile
SMILESCN(C)C1(c2ccccc2)CCC2(CCN(CCC3(C#N)CCC3)C2)CC1
InChIInChI=1S/C24H35N3/c1-26(2)24(21-7-4-3-5-8-21)13-11-23(12-14-24)16-18-27(20-23)17-15-22(19-25)9-6-10-22/h3-5,7-8H,6,9-18,20H2,1-2H3
InChIKeyWDSLYWQYIJTXKC-UHFFFAOYSA-N
XLogP4.79
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.57
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]ethyl]cyclobutane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]ethyl]cyclobutane-1-carbonitrile?
The IUPAC name of 1-[2-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]ethyl]cyclobutane-1-carbonitrile (CID 118662456) is 1-[2-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]ethyl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[2-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]ethyl]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-[2-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]ethyl]cyclobutane-1-carbonitrile is CN(C)C1(c2ccccc2)CCC2(CCN(CCC3(C#N)CCC3)C2)CC1.
What is the InChIKey of 1-[2-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]ethyl]cyclobutane-1-carbonitrile?
The InChIKey is WDSLYWQYIJTXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3/c1-26(2)24(21-7-4-3-5-8-21)13-11-23(12-14-24)16-18-27(20-23)17-15-22(19-25)9-6-10-22/h3-5,7-8H,6,9-18,20H2,1-2H3.
What are the key properties of 1-[2-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]ethyl]cyclobutane-1-carbonitrile?
1-[2-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]ethyl]cyclobutane-1-carbonitrile has a molecular weight of 365.57 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]ethyl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 118662456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).