11-methyl-11-azabicyclo[4.4.1]undecane

C11H21N — CID 580203

IUPAC11-methyl-11-azabicyclo[4.4.1]undecane
SMILESCN1C2CCCCC1CCCC2
InChIInChI=1S/C11H21N/c1-12-10-6-2-3-7-11(12)9-5-4-8-10/h10-11H,2-9H2,1H3
InChIKeyAUDROBYYWKROIP-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.80
Rot. Bonds

About 11-methyl-11-azabicyclo[4.4.1]undecane

11-methyl-11-azabicyclo[4.4.1]undecane (PubChem CID 580203) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 11-methyl-11-azabicyclo[4.4.1]undecane.

Molecular Properties

Compound Name11-methyl-11-azabicyclo[4.4.1]undecane
PubChem CID580203
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name11-methyl-11-azabicyclo[4.4.1]undecane
SMILESCN1C2CCCCC1CCCC2
InChIInChI=1S/C11H21N/c1-12-10-6-2-3-7-11(12)9-5-4-8-10/h10-11H,2-9H2,1H3
InChIKeyAUDROBYYWKROIP-UHFFFAOYSA-N
XLogP2.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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decahydro-1H-azepino[1,2-a]azepine
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CID 89887306
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CID 89887308
2-Ethyl-1-propan-2-ylazepane
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CID 124197775

Frequently Asked Questions

What is the IUPAC name of 11-methyl-11-azabicyclo[4.4.1]undecane?
The IUPAC name of 11-methyl-11-azabicyclo[4.4.1]undecane (CID 580203) is 11-methyl-11-azabicyclo[4.4.1]undecane.
What is the SMILES notation for 11-methyl-11-azabicyclo[4.4.1]undecane?
The canonical SMILES for 11-methyl-11-azabicyclo[4.4.1]undecane is CN1C2CCCCC1CCCC2.
What is the InChIKey of 11-methyl-11-azabicyclo[4.4.1]undecane?
The InChIKey is AUDROBYYWKROIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-12-10-6-2-3-7-11(12)9-5-4-8-10/h10-11H,2-9H2,1H3.
What are the key properties of 11-methyl-11-azabicyclo[4.4.1]undecane?
11-methyl-11-azabicyclo[4.4.1]undecane has a molecular weight of 167.30 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-11-azabicyclo[4.4.1]undecane is sourced from PubChem (CID 580203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).