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

C18H28N2 — CID 96668742

IUPAC2-(4-tert-butylphenyl)-2,8-diazaspiro[4.5]decane
SMILESCC(C)(C)c1ccc(N2CCC3(CCNCC3)C2)cc1
InChIInChI=1S/C18H28N2/c1-17(2,3)15-4-6-16(7-5-15)20-13-10-18(14-20)8-11-19-12-9-18/h4-7,19H,8-14H2,1-3H3
InChIKeyFGUWKEHJMXLNLR-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.56
Rot. Bonds1

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

2-(4-tert-butylphenyl)-2,8-diazaspiro[4.5]decane (PubChem CID 96668742) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-2,8-diazaspiro[4.5]decane
PubChem CID96668742
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name2-(4-tert-butylphenyl)-2,8-diazaspiro[4.5]decane
SMILESCC(C)(C)c1ccc(N2CCC3(CCNCC3)C2)cc1
InChIInChI=1S/C18H28N2/c1-17(2,3)15-4-6-16(7-5-15)20-13-10-18(14-20)8-11-19-12-9-18/h4-7,19H,8-14H2,1-3H3
InChIKeyFGUWKEHJMXLNLR-UHFFFAOYSA-N
XLogP3.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-tert-butylphenyl)-8-methyl-2,8-diazaspiro[4.5]decane
CID 168755787
2-(4-propan-2-ylphenyl)-2,8-diazaspiro[4.5]decane
CID 82483749
3-(4-chlorophenyl)-3,9-diazaspiro[5.5]undecane
CID 15940805
2-(4-tert-butylphenyl)-8-(propan-2-yloxymethyl)-2-azaspiro[4.5]decan-8-ol
CID 66577858
4-(3,9-diazaspiro[5.5]undecan-3-yl)benzonitrile
CID 15940810
8-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decan-8-ol
CID 66577720
4-(3,9-diazaspiro[5.5]undecan-3-yl)benzaldehyde
CID 87406619
2-(5-chloro-2-methylphenyl)-2,8-diazaspiro[4.5]decane
CID 82486515
8-(4-fluorophenyl)-2,8-diazaspiro[4.5]decane
CID 59505678
N-chloro-1-phenylmethanamine;2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane
CID 157288850
2,2-dimethylpropane;2-methyl-2,8-diazaspiro[4.5]decane
CID 145168180
2-(3-methylphenyl)-2,7-diazaspiro[4.4]nonane
CID 117028701

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-(4-tert-butylphenyl)-2,8-diazaspiro[4.5]decane (CID 96668742) is 2-(4-tert-butylphenyl)-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-(4-tert-butylphenyl)-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-(4-tert-butylphenyl)-2,8-diazaspiro[4.5]decane is CC(C)(C)c1ccc(N2CCC3(CCNCC3)C2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-2,8-diazaspiro[4.5]decane?
The InChIKey is FGUWKEHJMXLNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-17(2,3)15-4-6-16(7-5-15)20-13-10-18(14-20)8-11-19-12-9-18/h4-7,19H,8-14H2,1-3H3.
What are the key properties of 2-(4-tert-butylphenyl)-2,8-diazaspiro[4.5]decane?
2-(4-tert-butylphenyl)-2,8-diazaspiro[4.5]decane has a molecular weight of 272.44 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 96668742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).