3-(2-azabicyclo[2.1.1]hexan-2-yl)-6-ethyl-6-azaspiro[3.4]octane

C14H24N2 — CID 177005784

IUPAC3-(2-azabicyclo[2.1.1]hexan-2-yl)-6-ethyl-6-azaspiro[3.4]octane
SMILESCCN1CCC2(CCC2N2CC3CC2C3)C1
InChIInChI=1S/C14H24N2/c1-2-15-6-5-14(10-15)4-3-13(14)16-9-11-7-12(16)8-11/h11-13H,2-10H2,1H3
InChIKeyGEQKHTQCRVCZRW-UHFFFAOYSA-N
MW220.36 g/mol
LogP1.96
Rot. Bonds2

About 3-(2-azabicyclo[2.1.1]hexan-2-yl)-6-ethyl-6-azaspiro[3.4]octane

3-(2-azabicyclo[2.1.1]hexan-2-yl)-6-ethyl-6-azaspiro[3.4]octane (PubChem CID 177005784) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 3-(2-azabicyclo[2.1.1]hexan-2-yl)-6-ethyl-6-azaspiro[3.4]octane.

Molecular Properties

Compound Name3-(2-azabicyclo[2.1.1]hexan-2-yl)-6-ethyl-6-azaspiro[3.4]octane
PubChem CID177005784
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name3-(2-azabicyclo[2.1.1]hexan-2-yl)-6-ethyl-6-azaspiro[3.4]octane
SMILESCCN1CCC2(CCC2N2CC3CC2C3)C1
InChIInChI=1S/C14H24N2/c1-2-15-6-5-14(10-15)4-3-13(14)16-9-11-7-12(16)8-11/h11-13H,2-10H2,1H3
InChIKeyGEQKHTQCRVCZRW-UHFFFAOYSA-N
XLogP1.96
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-ethyl-3-(3-fluoropyrrolidin-1-yl)-6-azaspiro[3.4]octane
CID 177005819
2-cyclopropyl-7-ethyl-2,7-diazaspiro[4.4]nonane
CID 145006598
7-ethyl-5-fluoro-2-methyl-2,7-diazaspiro[3.5]nonane
CID 175631795
5-ethyl-5-azaspiro[2.4]heptan-7-ol
CID 59200734
6-ethyl-1,2,6-triazaspiro[2.4]hept-1-ene
CID 121460088
1-ethyl-4,4-dimethylpiperidine;hydrate
CID 178113144
(5S,8R)-2-ethyl-2-azaspiro[4.4]nonan-8-amine
CID 98084994
(4S,5R)-2-ethyl-7-(furan-3-ylmethyl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonane
CID 97486934
3,9-diethyl-3,9-diazaspiro[5.5]undecane
CID 20622591
1,3-diethylpyrrolidin-3-ol
CID 67586028
1-ethyl-3,3-dimethylazepane
CID 90730492
(3S,4S)-8-ethyl-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 146477428

Frequently Asked Questions

What is the IUPAC name of 3-(2-azabicyclo[2.1.1]hexan-2-yl)-6-ethyl-6-azaspiro[3.4]octane?
The IUPAC name of 3-(2-azabicyclo[2.1.1]hexan-2-yl)-6-ethyl-6-azaspiro[3.4]octane (CID 177005784) is 3-(2-azabicyclo[2.1.1]hexan-2-yl)-6-ethyl-6-azaspiro[3.4]octane.
What is the SMILES notation for 3-(2-azabicyclo[2.1.1]hexan-2-yl)-6-ethyl-6-azaspiro[3.4]octane?
The canonical SMILES for 3-(2-azabicyclo[2.1.1]hexan-2-yl)-6-ethyl-6-azaspiro[3.4]octane is CCN1CCC2(CCC2N2CC3CC2C3)C1.
What is the InChIKey of 3-(2-azabicyclo[2.1.1]hexan-2-yl)-6-ethyl-6-azaspiro[3.4]octane?
The InChIKey is GEQKHTQCRVCZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-2-15-6-5-14(10-15)4-3-13(14)16-9-11-7-12(16)8-11/h11-13H,2-10H2,1H3.
What are the key properties of 3-(2-azabicyclo[2.1.1]hexan-2-yl)-6-ethyl-6-azaspiro[3.4]octane?
3-(2-azabicyclo[2.1.1]hexan-2-yl)-6-ethyl-6-azaspiro[3.4]octane has a molecular weight of 220.36 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-azabicyclo[2.1.1]hexan-2-yl)-6-ethyl-6-azaspiro[3.4]octane is sourced from PubChem (CID 177005784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).