1-methyl-7-prop-2-enyl-11-azatricyclo[5.3.1.03,11]undecane

C14H23N — CID 134467176

IUPAC1-methyl-7-prop-2-enyl-11-azatricyclo[5.3.1.03,11]undecane
SMILESC=CCC12CCCC3CC(C)(CCC1)N32
InChIInChI=1S/C14H23N/c1-3-7-14-9-4-6-12-11-13(2,15(12)14)8-5-10-14/h3,12H,1,4-11H2,2H3
InChIKeyKRNCIDRRFMZAAT-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.50
Rot. Bonds2

About 1-methyl-7-prop-2-enyl-11-azatricyclo[5.3.1.03,11]undecane

1-methyl-7-prop-2-enyl-11-azatricyclo[5.3.1.03,11]undecane (PubChem CID 134467176) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 1-methyl-7-prop-2-enyl-11-azatricyclo[5.3.1.03,11]undecane.

Molecular Properties

Compound Name1-methyl-7-prop-2-enyl-11-azatricyclo[5.3.1.03,11]undecane
PubChem CID134467176
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name1-methyl-7-prop-2-enyl-11-azatricyclo[5.3.1.03,11]undecane
SMILESC=CCC12CCCC3CC(C)(CCC1)N32
InChIInChI=1S/C14H23N/c1-3-7-14-9-4-6-12-11-13(2,15(12)14)8-5-10-14/h3,12H,1,4-11H2,2H3
InChIKeyKRNCIDRRFMZAAT-UHFFFAOYSA-N
XLogP3.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-prop-2-enyl-11-azatricyclo[5.3.1.03,11]undecane?
The IUPAC name of 1-methyl-7-prop-2-enyl-11-azatricyclo[5.3.1.03,11]undecane (CID 134467176) is 1-methyl-7-prop-2-enyl-11-azatricyclo[5.3.1.03,11]undecane.
What is the SMILES notation for 1-methyl-7-prop-2-enyl-11-azatricyclo[5.3.1.03,11]undecane?
The canonical SMILES for 1-methyl-7-prop-2-enyl-11-azatricyclo[5.3.1.03,11]undecane is C=CCC12CCCC3CC(C)(CCC1)N32.
What is the InChIKey of 1-methyl-7-prop-2-enyl-11-azatricyclo[5.3.1.03,11]undecane?
The InChIKey is KRNCIDRRFMZAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-3-7-14-9-4-6-12-11-13(2,15(12)14)8-5-10-14/h3,12H,1,4-11H2,2H3.
What are the key properties of 1-methyl-7-prop-2-enyl-11-azatricyclo[5.3.1.03,11]undecane?
1-methyl-7-prop-2-enyl-11-azatricyclo[5.3.1.03,11]undecane has a molecular weight of 205.34 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-prop-2-enyl-11-azatricyclo[5.3.1.03,11]undecane is sourced from PubChem (CID 134467176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).