(10S)-1,10-dimethyl-11-azabicyclo[8.1.0]undecane

C12H23N — CID 89418606

IUPAC(10S)-1,10-dimethyl-11-azabicyclo[8.1.0]undecane
SMILESCC12CCCCCCCC[C@]1(C)N2
InChIInChI=1S/C12H23N/c1-11-9-7-5-3-4-6-8-10-12(11,2)13-11/h13H,3-10H2,1-2H3/t11-,12?/m0/s1
InChIKeyBXOCWSMQCCVIKQ-PXYINDEMSA-N
MW181.32 g/mol
LogP3.24
Rot. Bonds

About (10S)-1,10-dimethyl-11-azabicyclo[8.1.0]undecane

(10S)-1,10-dimethyl-11-azabicyclo[8.1.0]undecane (PubChem CID 89418606) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (10S)-1,10-dimethyl-11-azabicyclo[8.1.0]undecane.

Molecular Properties

Compound Name(10S)-1,10-dimethyl-11-azabicyclo[8.1.0]undecane
PubChem CID89418606
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(10S)-1,10-dimethyl-11-azabicyclo[8.1.0]undecane
SMILESCC12CCCCCCCC[C@]1(C)N2
InChIInChI=1S/C12H23N/c1-11-9-7-5-3-4-6-8-10-12(11,2)13-11/h13H,3-10H2,1-2H3/t11-,12?/m0/s1
InChIKeyBXOCWSMQCCVIKQ-PXYINDEMSA-N
XLogP3.24
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (10S)-1,10-dimethyl-11-azabicyclo[8.1.0]undecane?
The IUPAC name of (10S)-1,10-dimethyl-11-azabicyclo[8.1.0]undecane (CID 89418606) is (10S)-1,10-dimethyl-11-azabicyclo[8.1.0]undecane.
What is the SMILES notation for (10S)-1,10-dimethyl-11-azabicyclo[8.1.0]undecane?
The canonical SMILES for (10S)-1,10-dimethyl-11-azabicyclo[8.1.0]undecane is CC12CCCCCCCC[C@]1(C)N2.
What is the InChIKey of (10S)-1,10-dimethyl-11-azabicyclo[8.1.0]undecane?
The InChIKey is BXOCWSMQCCVIKQ-PXYINDEMSA-N. The full InChI is InChI=1S/C12H23N/c1-11-9-7-5-3-4-6-8-10-12(11,2)13-11/h13H,3-10H2,1-2H3/t11-,12?/m0/s1.
What are the key properties of (10S)-1,10-dimethyl-11-azabicyclo[8.1.0]undecane?
(10S)-1,10-dimethyl-11-azabicyclo[8.1.0]undecane has a molecular weight of 181.32 g/mol, XLogP of 3.24, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (10S)-1,10-dimethyl-11-azabicyclo[8.1.0]undecane is sourced from PubChem (CID 89418606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).