2-(4-tert-butylphenyl)-8-methyl-2,8-diazaspiro[4.5]decane

C19H30N2 — CID 168755787

IUPAC2-(4-tert-butylphenyl)-8-methyl-2,8-diazaspiro[4.5]decane
SMILESCN1CCC2(CC1)CCN(c1ccc(C(C)(C)C)cc1)C2
InChIInChI=1S/C19H30N2/c1-18(2,3)16-5-7-17(8-6-16)21-14-11-19(15-21)9-12-20(4)13-10-19/h5-8H,9-15H2,1-4H3
InChIKeyXVUGQAHRVVIVDL-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.91
Rot. Bonds1

About 2-(4-tert-butylphenyl)-8-methyl-2,8-diazaspiro[4.5]decane

2-(4-tert-butylphenyl)-8-methyl-2,8-diazaspiro[4.5]decane (PubChem CID 168755787) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-8-methyl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-8-methyl-2,8-diazaspiro[4.5]decane
PubChem CID168755787
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name2-(4-tert-butylphenyl)-8-methyl-2,8-diazaspiro[4.5]decane
SMILESCN1CCC2(CC1)CCN(c1ccc(C(C)(C)C)cc1)C2
InChIInChI=1S/C19H30N2/c1-18(2,3)16-5-7-17(8-6-16)21-14-11-19(15-21)9-12-20(4)13-10-19/h5-8H,9-15H2,1-4H3
InChIKeyXVUGQAHRVVIVDL-UHFFFAOYSA-N
XLogP3.91
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-tert-butylphenyl)-2,8-diazaspiro[4.5]decane
CID 96668742
2-(4-tert-butylphenyl)-8-(propan-2-yloxymethyl)-2-azaspiro[4.5]decan-8-ol
CID 66577858
2-[4-(4-bromoimidazol-1-yl)phenyl]-8-methyl-2,8-diazaspiro[4.5]decane
CID 171101393
8-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decan-8-ol
CID 66577720
4-(4-tert-butylphenyl)-1,4-dimethylpiperidine
CID 118133394
5-[4-(bromomethyl)phenyl]-5-azaspiro[2.4]heptane
CID 131123654
2-methyl-7-(4-methylphenyl)-2,7-diazaspiro[3.5]nonane
CID 163257013
8-methyl-2-(2-phenylpropan-2-yl)-2,8-diazaspiro[4.5]decane
CID 91443964
4-amino-1-(4-tert-butylphenyl)piperidine-4-carbonitrile
CID 117013067
2-(difluoromethoxy)-4-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)aniline
CID 164568540
3-amino-1-(4-tert-butylphenyl)piperidine-3-carbonitrile
CID 117012890
1-(4-tert-butylphenyl)-4,4-dimethylpiperidin-3-amine
CID 117025265

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-8-methyl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-(4-tert-butylphenyl)-8-methyl-2,8-diazaspiro[4.5]decane (CID 168755787) is 2-(4-tert-butylphenyl)-8-methyl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-(4-tert-butylphenyl)-8-methyl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-(4-tert-butylphenyl)-8-methyl-2,8-diazaspiro[4.5]decane is CN1CCC2(CC1)CCN(c1ccc(C(C)(C)C)cc1)C2.
What is the InChIKey of 2-(4-tert-butylphenyl)-8-methyl-2,8-diazaspiro[4.5]decane?
The InChIKey is XVUGQAHRVVIVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-18(2,3)16-5-7-17(8-6-16)21-14-11-19(15-21)9-12-20(4)13-10-19/h5-8H,9-15H2,1-4H3.
What are the key properties of 2-(4-tert-butylphenyl)-8-methyl-2,8-diazaspiro[4.5]decane?
2-(4-tert-butylphenyl)-8-methyl-2,8-diazaspiro[4.5]decane has a molecular weight of 286.46 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-8-methyl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 168755787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).