2-(3,3,5-trimethylcyclohexyl)-2,8-diazaspiro[5.5]undecane

C18H34N2 — CID 102849291

IUPAC2-(3,3,5-trimethylcyclohexyl)-2,8-diazaspiro[5.5]undecane
SMILESCC1CC(N2CCCC3(CCCNC3)C2)CC(C)(C)C1
InChIInChI=1S/C18H34N2/c1-15-10-16(12-17(2,3)11-15)20-9-5-7-18(14-20)6-4-8-19-13-18/h15-16,19H,4-14H2,1-3H3
InChIKeyXGVHUPSBOPHRGU-UHFFFAOYSA-N
MW278.48 g/mol
LogP3.67
Rot. Bonds1

About 2-(3,3,5-trimethylcyclohexyl)-2,8-diazaspiro[5.5]undecane

2-(3,3,5-trimethylcyclohexyl)-2,8-diazaspiro[5.5]undecane (PubChem CID 102849291) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 2-(3,3,5-trimethylcyclohexyl)-2,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name2-(3,3,5-trimethylcyclohexyl)-2,8-diazaspiro[5.5]undecane
PubChem CID102849291
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name2-(3,3,5-trimethylcyclohexyl)-2,8-diazaspiro[5.5]undecane
SMILESCC1CC(N2CCCC3(CCCNC3)C2)CC(C)(C)C1
InChIInChI=1S/C18H34N2/c1-15-10-16(12-17(2,3)11-15)20-9-5-7-18(14-20)6-4-8-19-13-18/h15-16,19H,4-14H2,1-3H3
InChIKeyXGVHUPSBOPHRGU-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,8-diazaspiro[5.5]undecan-2-yl)thiane 1,1-dioxide
CID 102849442
3,5-dimethyl-1-(3,3,5-trimethylcyclohexyl)piperazine
CID 63863327
N-methyl-1-(3,3,5-trimethylcyclohexyl)piperidin-3-amine
CID 62534250
2,8-diazaspiro[5.5]undecan-2-yl-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 102849814
1-(3,3,5,5-tetramethylcyclohexyl)-1,5-diazocane
CID 103968297
3-(2,8-diazaspiro[5.5]undecan-2-yl)azepan-2-one
CID 102850218
[1-[(1R,5R)-3,3,5-trimethylcyclohexyl]piperidin-4-yl]methanol
CID 129493314
3,3-dimethyl-1-piperidin-4-ylpiperidine;dihydrochloride
CID 156735226
4-methyl-3-oxa-8-azaspiro[5.6]dodecane
CID 116526031
8-propan-2-yl-2,8-diazaspiro[5.6]dodecane
CID 168995740
2-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,8-diazaspiro[5.5]undecane
CID 102849328
2-(cyclobutylmethyl)-2,8-diazaspiro[5.5]undecane
CID 102849456

Frequently Asked Questions

What is the IUPAC name of 2-(3,3,5-trimethylcyclohexyl)-2,8-diazaspiro[5.5]undecane?
The IUPAC name of 2-(3,3,5-trimethylcyclohexyl)-2,8-diazaspiro[5.5]undecane (CID 102849291) is 2-(3,3,5-trimethylcyclohexyl)-2,8-diazaspiro[5.5]undecane.
What is the SMILES notation for 2-(3,3,5-trimethylcyclohexyl)-2,8-diazaspiro[5.5]undecane?
The canonical SMILES for 2-(3,3,5-trimethylcyclohexyl)-2,8-diazaspiro[5.5]undecane is CC1CC(N2CCCC3(CCCNC3)C2)CC(C)(C)C1.
What is the InChIKey of 2-(3,3,5-trimethylcyclohexyl)-2,8-diazaspiro[5.5]undecane?
The InChIKey is XGVHUPSBOPHRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-15-10-16(12-17(2,3)11-15)20-9-5-7-18(14-20)6-4-8-19-13-18/h15-16,19H,4-14H2,1-3H3.
What are the key properties of 2-(3,3,5-trimethylcyclohexyl)-2,8-diazaspiro[5.5]undecane?
2-(3,3,5-trimethylcyclohexyl)-2,8-diazaspiro[5.5]undecane has a molecular weight of 278.48 g/mol, XLogP of 3.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,5-trimethylcyclohexyl)-2,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 102849291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).