2-(2-adamantylmethyl)-2,8-diazaspiro[5.5]undecane

C20H34N2 — CID 82038730

IUPAC2-(2-adamantylmethyl)-2,8-diazaspiro[5.5]undecane
SMILESC1CNCC2(C1)CCCN(CC1C3CC4CC(C3)CC1C4)C2
InChIInChI=1S/C20H34N2/c1-3-20(13-21-5-1)4-2-6-22(14-20)12-19-17-8-15-7-16(10-17)11-18(19)9-15/h15-19,21H,1-14H2
InChIKeyIJIWNRIZORAUKM-UHFFFAOYSA-N
MW302.51 g/mol
LogP3.52
Rot. Bonds2

About 2-(2-adamantylmethyl)-2,8-diazaspiro[5.5]undecane

2-(2-adamantylmethyl)-2,8-diazaspiro[5.5]undecane (PubChem CID 82038730) has the molecular formula C20H34N2 and a molecular weight of 302.51 g/mol. Its IUPAC name is 2-(2-adamantylmethyl)-2,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name2-(2-adamantylmethyl)-2,8-diazaspiro[5.5]undecane
PubChem CID82038730
Molecular FormulaC20H34N2
Molecular Weight302.51 g/mol
Exact Mass302.27
IUPAC Name2-(2-adamantylmethyl)-2,8-diazaspiro[5.5]undecane
SMILESC1CNCC2(C1)CCCN(CC1C3CC4CC(C3)CC1C4)C2
InChIInChI=1S/C20H34N2/c1-3-20(13-21-5-1)4-2-6-22(14-20)12-19-17-8-15-7-16(10-17)11-18(19)9-15/h15-19,21H,1-14H2
InChIKeyIJIWNRIZORAUKM-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.51
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclobutylmethyl)-2,8-diazaspiro[5.5]undecane
CID 102849456
2-(oxolan-3-ylmethyl)-2,8-diazaspiro[5.5]undecane
CID 102849336
5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-1,3-oxazolidin-2-one
CID 102850340
2-(2,8-diazaspiro[5.5]undecan-2-yl)acetamide
CID 102850141
6-(2,8-diazaspiro[5.5]undecan-2-yl)hexan-1-ol
CID 107705688
2-bicyclo[2.2.1]heptanyl(2,8-diazaspiro[5.5]undecan-2-yl)methanone
CID 102849915
2-(2,8-diazaspiro[5.5]undecan-2-yl)-N,N-diethylethanamine
CID 102850433
2-(2,9-diazaspiro[4.5]decan-2-yl)ethanamine
CID 130608102
2-[(2,5-dimethylthiophen-3-yl)methyl]-2,8-diazaspiro[5.5]undecane
CID 102849258
2-(3-ethoxypropyl)-2,8-diazaspiro[5.5]undecane
CID 102850195
2-[(2,5-dichlorophenyl)methyl]-2,8-diazaspiro[5.5]undecane
CID 82038748
2-[(2,4,6-trimethylphenyl)methyl]-2,8-diazaspiro[5.5]undecane
CID 102849325

Frequently Asked Questions

What is the IUPAC name of 2-(2-adamantylmethyl)-2,8-diazaspiro[5.5]undecane?
The IUPAC name of 2-(2-adamantylmethyl)-2,8-diazaspiro[5.5]undecane (CID 82038730) is 2-(2-adamantylmethyl)-2,8-diazaspiro[5.5]undecane.
What is the SMILES notation for 2-(2-adamantylmethyl)-2,8-diazaspiro[5.5]undecane?
The canonical SMILES for 2-(2-adamantylmethyl)-2,8-diazaspiro[5.5]undecane is C1CNCC2(C1)CCCN(CC1C3CC4CC(C3)CC1C4)C2.
What is the InChIKey of 2-(2-adamantylmethyl)-2,8-diazaspiro[5.5]undecane?
The InChIKey is IJIWNRIZORAUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2/c1-3-20(13-21-5-1)4-2-6-22(14-20)12-19-17-8-15-7-16(10-17)11-18(19)9-15/h15-19,21H,1-14H2.
What are the key properties of 2-(2-adamantylmethyl)-2,8-diazaspiro[5.5]undecane?
2-(2-adamantylmethyl)-2,8-diazaspiro[5.5]undecane has a molecular weight of 302.51 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-adamantylmethyl)-2,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 82038730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).