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

C13H23N — CID 546908

IUPAC2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-N,N-dimethylethanamine
SMILESCN(C)CCC1=CCC2CC1C2(C)C
InChIInChI=1S/C13H23N/c1-13(2)11-6-5-10(12(13)9-11)7-8-14(3)4/h5,11-12H,6-9H2,1-4H3
InChIKeyVDWWSWVFXKVAHE-UHFFFAOYSA-N
MW193.33 g/mol
LogP2.93
Rot. Bonds3

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

2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-N,N-dimethylethanamine (PubChem CID 546908) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-N,N-dimethylethanamine
PubChem CID546908
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-N,N-dimethylethanamine
SMILESCN(C)CCC1=CCC2CC1C2(C)C
InChIInChI=1S/C13H23N/c1-13(2)11-6-5-10(12(13)9-11)7-8-14(3)4/h5,11-12H,6-9H2,1-4H3
InChIKeyVDWWSWVFXKVAHE-UHFFFAOYSA-N
XLogP2.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 52.93
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 2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-N,N-dimethylethanamine?
The IUPAC name of 2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-N,N-dimethylethanamine (CID 546908) is 2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-N,N-dimethylethanamine is CN(C)CCC1=CCC2CC1C2(C)C.
What is the InChIKey of 2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-N,N-dimethylethanamine?
The InChIKey is VDWWSWVFXKVAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-13(2)11-6-5-10(12(13)9-11)7-8-14(3)4/h5,11-12H,6-9H2,1-4H3.
What are the key properties of 2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-N,N-dimethylethanamine?
2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-N,N-dimethylethanamine has a molecular weight of 193.33 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-N,N-dimethylethanamine is sourced from PubChem (CID 546908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).