3-[8-[ethyl(methyl)amino]-2-hydroxy-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile

C22H34N4O — CID 146430046

IUPAC3-[8-[ethyl(methyl)amino]-2-hydroxy-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile
SMILESCCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(C)(C)C#N)C(O)N2
InChIInChI=1S/C22H34N4O/c1-5-25(4)22(18-9-7-6-8-10-18)13-11-21(12-14-22)17-26(19(27)24-21)16-20(2,3)15-23/h6-10,19,24,27H,5,11-14,16-17H2,1-4H3
InChIKeyLQSXUYRNBMSKNW-UHFFFAOYSA-N
MW370.54 g/mol
LogP2.88
Rot. Bonds5

About 3-[8-[ethyl(methyl)amino]-2-hydroxy-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile

3-[8-[ethyl(methyl)amino]-2-hydroxy-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile (PubChem CID 146430046) has the molecular formula C22H34N4O and a molecular weight of 370.54 g/mol. Its IUPAC name is 3-[8-[ethyl(methyl)amino]-2-hydroxy-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile.

Molecular Properties

Compound Name3-[8-[ethyl(methyl)amino]-2-hydroxy-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile
PubChem CID146430046
Molecular FormulaC22H34N4O
Molecular Weight370.54 g/mol
Exact Mass370.27
IUPAC Name3-[8-[ethyl(methyl)amino]-2-hydroxy-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile
SMILESCCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(C)(C)C#N)C(O)N2
InChIInChI=1S/C22H34N4O/c1-5-25(4)22(18-9-7-6-8-10-18)13-11-21(12-14-22)17-26(19(27)24-21)16-20(2,3)15-23/h6-10,19,24,27H,5,11-14,16-17H2,1-4H3
InChIKeyLQSXUYRNBMSKNW-UHFFFAOYSA-N
XLogP2.88
TPSA62.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-2-hydroxy-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile
CID 166647377
8-(dimethylamino)-3-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol
CID 138512704
3-[8-(dimethylamino)-2-hydroxy-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile
CID 166647371
3-(5-chloropyrazin-2-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol
CID 135231325
8-(dimethylamino)-3-[2-(2-methoxyethylamino)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol
CID 138534564
3-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile
CID 130202962
8-(dimethylamino)-8-phenyl-3-(6-piperazin-1-yl-3-pyridinyl)-1,3-diazaspiro[4.5]decan-2-ol
CID 138534482
3-[(3-aminooxetan-3-yl)methyl]-1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]cyclobutane-1-carbonitrile;8-(dimethylamino)-1,3-bis[(1-fluorocyclopropyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[8-(dimethylamino)-1-[(1-fluorocyclopropyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile;3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile;3-[8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile
CID 160936436
4-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2,2-dimethylbutanenitrile
CID 118662229
3-[1-[[(E)-3-amino-2-[8-(dimethylamino)-2-hydroxy-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]prop-2-enylidene]amino]ethenyl]benzonitrile
CID 155198686
3-[8-(dimethylamino)-1-(3-methoxypropyl)-2-methylidene-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile
CID 155200071
8-(dimethylamino)-3-[2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol
CID 138534583

Frequently Asked Questions

What is the IUPAC name of 3-[8-[ethyl(methyl)amino]-2-hydroxy-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile?
The IUPAC name of 3-[8-[ethyl(methyl)amino]-2-hydroxy-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile (CID 146430046) is 3-[8-[ethyl(methyl)amino]-2-hydroxy-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile.
What is the SMILES notation for 3-[8-[ethyl(methyl)amino]-2-hydroxy-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile?
The canonical SMILES for 3-[8-[ethyl(methyl)amino]-2-hydroxy-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile is CCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(C)(C)C#N)C(O)N2.
What is the InChIKey of 3-[8-[ethyl(methyl)amino]-2-hydroxy-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile?
The InChIKey is LQSXUYRNBMSKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O/c1-5-25(4)22(18-9-7-6-8-10-18)13-11-21(12-14-22)17-26(19(27)24-21)16-20(2,3)15-23/h6-10,19,24,27H,5,11-14,16-17H2,1-4H3.
What are the key properties of 3-[8-[ethyl(methyl)amino]-2-hydroxy-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile?
3-[8-[ethyl(methyl)amino]-2-hydroxy-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile has a molecular weight of 370.54 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-[ethyl(methyl)amino]-2-hydroxy-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile is sourced from PubChem (CID 146430046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).