1-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-N-methylmethanamine

C11H19N — CID 20828201

IUPAC1-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-N-methylmethanamine
SMILESCNCC1=CCC2CC1C2(C)C
InChIInChI=1S/C11H19N/c1-11(2)9-5-4-8(7-12-3)10(11)6-9/h4,9-10,12H,5-7H2,1-3H3
InChIKeyQSPCLEPMLDKEQT-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.20
Rot. Bonds2

About 1-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-N-methylmethanamine

1-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-N-methylmethanamine (PubChem CID 20828201) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 1-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-N-methylmethanamine
PubChem CID20828201
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name1-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-N-methylmethanamine
SMILESCNCC1=CCC2CC1C2(C)C
InChIInChI=1S/C11H19N/c1-11(2)9-5-4-8(7-12-3)10(11)6-9/h4,9-10,12H,5-7H2,1-3H3
InChIKeyQSPCLEPMLDKEQT-UHFFFAOYSA-N
XLogP2.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.20
H-Bond Donors ≤ 51
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-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-N-methylmethanamine?
The IUPAC name of 1-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-N-methylmethanamine (CID 20828201) is 1-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-N-methylmethanamine.
What is the SMILES notation for 1-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-N-methylmethanamine?
The canonical SMILES for 1-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-N-methylmethanamine is CNCC1=CCC2CC1C2(C)C.
What is the InChIKey of 1-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-N-methylmethanamine?
The InChIKey is QSPCLEPMLDKEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-11(2)9-5-4-8(7-12-3)10(11)6-9/h4,9-10,12H,5-7H2,1-3H3.
What are the key properties of 1-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-N-methylmethanamine?
1-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-N-methylmethanamine has a molecular weight of 165.28 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-N-methylmethanamine is sourced from PubChem (CID 20828201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).