7-(3-methoxycyclobutyl)-7-aza-2-azoniaspiro[3.5]nonane

C12H23N2O+ — CID 166077502

IUPAC7-(3-methoxycyclobutyl)-7-aza-2-azoniaspiro[3.5]nonane
SMILESCOC1CC(N2CCC3(CC2)C[NH2+]C3)C1
InChIInChI=1S/C12H22N2O/c1-15-11-6-10(7-11)14-4-2-12(3-5-14)8-13-9-12/h10-11,13H,2-9H2,1H3/p+1
InChIKeyJTIKZONNIVYPKE-UHFFFAOYSA-O
MW211.33 g/mol
LogP-0.18
Rot. Bonds2

About 7-(3-methoxycyclobutyl)-7-aza-2-azoniaspiro[3.5]nonane

7-(3-methoxycyclobutyl)-7-aza-2-azoniaspiro[3.5]nonane (PubChem CID 166077502) has the molecular formula C12H23N2O+ and a molecular weight of 211.33 g/mol. Its IUPAC name is 7-(3-methoxycyclobutyl)-7-aza-2-azoniaspiro[3.5]nonane.

Molecular Properties

Compound Name7-(3-methoxycyclobutyl)-7-aza-2-azoniaspiro[3.5]nonane
PubChem CID166077502
Molecular FormulaC12H23N2O+
Molecular Weight211.33 g/mol
Exact Mass211.18
IUPAC Name7-(3-methoxycyclobutyl)-7-aza-2-azoniaspiro[3.5]nonane
SMILESCOC1CC(N2CCC3(CC2)C[NH2+]C3)C1
InChIInChI=1S/C12H22N2O/c1-15-11-6-10(7-11)14-4-2-12(3-5-14)8-13-9-12/h10-11,13H,2-9H2,1H3/p+1
InChIKeyJTIKZONNIVYPKE-UHFFFAOYSA-O
XLogP-0.18
TPSA29.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-(3-Methoxypropyl)-2,7-diazaspiro[3.5]nonane
CID 84115770
3-methoxy-N-methyl-N-(piperidin-4-ylmethyl)cyclobutan-1-amine
CID 106822977
3-methoxy-N-(piperidin-4-ylmethyl)-N-propan-2-ylcyclobutan-1-amine
CID 113881165
7-(3-Propan-2-yloxypropyl)-2,7-diazaspiro[3.5]nonane
CID 135173644
3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-methylcyclobutan-1-amine
CID 139475070
N-methyl-N-[2-(3-methylazetidin-3-yl)ethyl]propan-2-amine;7-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane
CID 145648006
Ethane;methane;7-(3-propan-2-yloxypropyl)-2,7-diazaspiro[3.5]nonane
CID 156867278
3-(3-Methoxycyclobutyl)-3,9-diazaspiro[5.5]undecane
CID 166077405
7-(3-Methoxycyclobutyl)-2,7-diazaspiro[3.5]nonane
CID 166077503
2-(3-Methoxycyclobutyl)-7-methyl-2,7-diazaspiro[3.5]nonane
CID 166077728
8-(3-Methoxycyclobutyl)-2,8-diazaspiro[4.5]decane
CID 167217778
2-(3-Methoxycyclobutyl)-2,8-diazaspiro[4.5]decane
CID 167217780

Frequently Asked Questions

What is the IUPAC name of 7-(3-methoxycyclobutyl)-7-aza-2-azoniaspiro[3.5]nonane?
The IUPAC name of 7-(3-methoxycyclobutyl)-7-aza-2-azoniaspiro[3.5]nonane (CID 166077502) is 7-(3-methoxycyclobutyl)-7-aza-2-azoniaspiro[3.5]nonane.
What is the SMILES notation for 7-(3-methoxycyclobutyl)-7-aza-2-azoniaspiro[3.5]nonane?
The canonical SMILES for 7-(3-methoxycyclobutyl)-7-aza-2-azoniaspiro[3.5]nonane is COC1CC(N2CCC3(CC2)C[NH2+]C3)C1.
What is the InChIKey of 7-(3-methoxycyclobutyl)-7-aza-2-azoniaspiro[3.5]nonane?
The InChIKey is JTIKZONNIVYPKE-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H22N2O/c1-15-11-6-10(7-11)14-4-2-12(3-5-14)8-13-9-12/h10-11,13H,2-9H2,1H3/p+1.
What are the key properties of 7-(3-methoxycyclobutyl)-7-aza-2-azoniaspiro[3.5]nonane?
7-(3-methoxycyclobutyl)-7-aza-2-azoniaspiro[3.5]nonane has a molecular weight of 211.33 g/mol, XLogP of -0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methoxycyclobutyl)-7-aza-2-azoniaspiro[3.5]nonane is sourced from PubChem (CID 166077502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).