8-(2-methylbutyl)-3-oxa-8-azabicyclo[3.2.1]octane

C11H21NO — CID 170083724

IUPAC8-(2-methylbutyl)-3-oxa-8-azabicyclo[3.2.1]octane
SMILESCCC(C)CN1C2CCC1COC2
InChIInChI=1S/C11H21NO/c1-3-9(2)6-12-10-4-5-11(12)8-13-7-10/h9-11H,3-8H2,1-2H3
InChIKeyONIFUEQYKFHMOD-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.90
Rot. Bonds3

About 8-(2-methylbutyl)-3-oxa-8-azabicyclo[3.2.1]octane

8-(2-methylbutyl)-3-oxa-8-azabicyclo[3.2.1]octane (PubChem CID 170083724) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is 8-(2-methylbutyl)-3-oxa-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-(2-methylbutyl)-3-oxa-8-azabicyclo[3.2.1]octane
PubChem CID170083724
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name8-(2-methylbutyl)-3-oxa-8-azabicyclo[3.2.1]octane
SMILESCCC(C)CN1C2CCC1COC2
InChIInChI=1S/C11H21NO/c1-3-9(2)6-12-10-4-5-11(12)8-13-7-10/h9-11H,3-8H2,1-2H3
InChIKeyONIFUEQYKFHMOD-UHFFFAOYSA-N
XLogP1.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-[(2R)-3-methoxy-2-methylpropyl]-3-oxa-8-azabicyclo[3.2.1]octane
CID 170083312
ethane;8-ethyl-3-oxa-8-azabicyclo[3.2.1]octane
CID 169243186
1-chloro-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-2-ol
CID 164661066
8-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane
CID 58110399
9-ethyl-3,7-dioxa-9-azabicyclo[3.3.1]nonane
CID 90360516
2-(2-methylbutyl)-2-azabicyclo[2.2.1]heptane
CID 174261513
3,4-di(propan-2-yl)oxolane;2-methylbutane
CID 161401744
N-methyl-8-(2-methyl-3-methylsulfanylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 63957635
5-(2-methylbutyl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 90758578
8-(2-fluoro-2-methyl-3-propan-2-yloxypropyl)-3-oxa-8-azabicyclo[3.2.1]octane
CID 170083155
ethane;4-(2-methylbutyl)morpholine
CID 142525427
N-(2-methylpropyl)-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylmethyl)prop-2-enamide
CID 176757801

Frequently Asked Questions

What is the IUPAC name of 8-(2-methylbutyl)-3-oxa-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-(2-methylbutyl)-3-oxa-8-azabicyclo[3.2.1]octane (CID 170083724) is 8-(2-methylbutyl)-3-oxa-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-(2-methylbutyl)-3-oxa-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-(2-methylbutyl)-3-oxa-8-azabicyclo[3.2.1]octane is CCC(C)CN1C2CCC1COC2.
What is the InChIKey of 8-(2-methylbutyl)-3-oxa-8-azabicyclo[3.2.1]octane?
The InChIKey is ONIFUEQYKFHMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-9(2)6-12-10-4-5-11(12)8-13-7-10/h9-11H,3-8H2,1-2H3.
What are the key properties of 8-(2-methylbutyl)-3-oxa-8-azabicyclo[3.2.1]octane?
8-(2-methylbutyl)-3-oxa-8-azabicyclo[3.2.1]octane has a molecular weight of 183.30 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylbutyl)-3-oxa-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 170083724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).