2-[(2,4,6-trimethylphenyl)methyl]-2,8-diazaspiro[5.5]undecane

C19H30N2 — CID 102849325

IUPAC2-[(2,4,6-trimethylphenyl)methyl]-2,8-diazaspiro[5.5]undecane
SMILESCc1cc(C)c(CN2CCCC3(CCCNC3)C2)c(C)c1
InChIInChI=1S/C19H30N2/c1-15-10-16(2)18(17(3)11-15)12-21-9-5-7-19(14-21)6-4-8-20-13-19/h10-11,20H,4-9,12-14H2,1-3H3
InChIKeyNQCFDCDLFOCIMX-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.58
Rot. Bonds2

About 2-[(2,4,6-trimethylphenyl)methyl]-2,8-diazaspiro[5.5]undecane

2-[(2,4,6-trimethylphenyl)methyl]-2,8-diazaspiro[5.5]undecane (PubChem CID 102849325) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 2-[(2,4,6-trimethylphenyl)methyl]-2,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name2-[(2,4,6-trimethylphenyl)methyl]-2,8-diazaspiro[5.5]undecane
PubChem CID102849325
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name2-[(2,4,6-trimethylphenyl)methyl]-2,8-diazaspiro[5.5]undecane
SMILESCc1cc(C)c(CN2CCCC3(CCCNC3)C2)c(C)c1
InChIInChI=1S/C19H30N2/c1-15-10-16(2)18(17(3)11-15)12-21-9-5-7-19(14-21)6-4-8-20-13-19/h10-11,20H,4-9,12-14H2,1-3H3
InChIKeyNQCFDCDLFOCIMX-UHFFFAOYSA-N
XLogP3.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,5-dimethylthiophen-3-yl)methyl]-2,8-diazaspiro[5.5]undecane
CID 102849258
3-methyl-1-[(2,4,6-trimethylphenyl)methyl]piperidin-3-ol
CID 113343970
7-[(2,3,4,5,6-pentafluorophenyl)methyl]-2,7-diazaspiro[4.5]decane
CID 56752325
4-(2,7-diazaspiro[4.5]decan-7-ylmethyl)-6,8-dimethylchromen-2-one;dihydrochloride
CID 172896985
2-[(2,5-dichlorophenyl)methyl]-2,8-diazaspiro[5.5]undecane
CID 82038748
2-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-6-methoxyphenol
CID 102849331
2-[(4-bromo-2-fluorophenyl)methyl]-2,8-diazaspiro[5.5]undecane
CID 102849338
2-[(4-bromo-2-chlorophenyl)methyl]-2,8-diazaspiro[5.5]undecane
CID 102849413
2-[(2,4-dimethylphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907707
methyl 5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)furan-2-carboxylate
CID 102850104
2-[(6-methoxy-3-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecane
CID 102849320
2-[(4-nitrophenyl)methyl]-2,8-diazaspiro[5.5]undecane
CID 102849321

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4,6-trimethylphenyl)methyl]-2,8-diazaspiro[5.5]undecane?
The IUPAC name of 2-[(2,4,6-trimethylphenyl)methyl]-2,8-diazaspiro[5.5]undecane (CID 102849325) is 2-[(2,4,6-trimethylphenyl)methyl]-2,8-diazaspiro[5.5]undecane.
What is the SMILES notation for 2-[(2,4,6-trimethylphenyl)methyl]-2,8-diazaspiro[5.5]undecane?
The canonical SMILES for 2-[(2,4,6-trimethylphenyl)methyl]-2,8-diazaspiro[5.5]undecane is Cc1cc(C)c(CN2CCCC3(CCCNC3)C2)c(C)c1.
What is the InChIKey of 2-[(2,4,6-trimethylphenyl)methyl]-2,8-diazaspiro[5.5]undecane?
The InChIKey is NQCFDCDLFOCIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-15-10-16(2)18(17(3)11-15)12-21-9-5-7-19(14-21)6-4-8-20-13-19/h10-11,20H,4-9,12-14H2,1-3H3.
What are the key properties of 2-[(2,4,6-trimethylphenyl)methyl]-2,8-diazaspiro[5.5]undecane?
2-[(2,4,6-trimethylphenyl)methyl]-2,8-diazaspiro[5.5]undecane has a molecular weight of 286.46 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4,6-trimethylphenyl)methyl]-2,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 102849325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).