methoxy-(3-methyl-3-bicyclo[3.3.1]non-1-enyl)methanamine

C12H21NO — CID 155440601

IUPACmethoxy-(3-methyl-3-bicyclo[3.3.1]non-1-enyl)methanamine
SMILESCOC(N)C1(C)C=C2CCCC(C2)C1
InChIInChI=1S/C12H21NO/c1-12(11(13)14-2)7-9-4-3-5-10(6-9)8-12/h7,10-11H,3-6,8,13H2,1-2H3
InChIKeyHGUAROINWLSDTK-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.44
Rot. Bonds2

About methoxy-(3-methyl-3-bicyclo[3.3.1]non-1-enyl)methanamine

methoxy-(3-methyl-3-bicyclo[3.3.1]non-1-enyl)methanamine (PubChem CID 155440601) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is methoxy-(3-methyl-3-bicyclo[3.3.1]non-1-enyl)methanamine.

Molecular Properties

Compound Namemethoxy-(3-methyl-3-bicyclo[3.3.1]non-1-enyl)methanamine
PubChem CID155440601
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Namemethoxy-(3-methyl-3-bicyclo[3.3.1]non-1-enyl)methanamine
SMILESCOC(N)C1(C)C=C2CCCC(C2)C1
InChIInChI=1S/C12H21NO/c1-12(11(13)14-2)7-9-4-3-5-10(6-9)8-12/h7,10-11H,3-6,8,13H2,1-2H3
InChIKeyHGUAROINWLSDTK-UHFFFAOYSA-N
XLogP2.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methoxy-(3-methyl-3-bicyclo[3.3.1]non-1-enyl)methanamine?
The IUPAC name of methoxy-(3-methyl-3-bicyclo[3.3.1]non-1-enyl)methanamine (CID 155440601) is methoxy-(3-methyl-3-bicyclo[3.3.1]non-1-enyl)methanamine.
What is the SMILES notation for methoxy-(3-methyl-3-bicyclo[3.3.1]non-1-enyl)methanamine?
The canonical SMILES for methoxy-(3-methyl-3-bicyclo[3.3.1]non-1-enyl)methanamine is COC(N)C1(C)C=C2CCCC(C2)C1.
What is the InChIKey of methoxy-(3-methyl-3-bicyclo[3.3.1]non-1-enyl)methanamine?
The InChIKey is HGUAROINWLSDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-12(11(13)14-2)7-9-4-3-5-10(6-9)8-12/h7,10-11H,3-6,8,13H2,1-2H3.
What are the key properties of methoxy-(3-methyl-3-bicyclo[3.3.1]non-1-enyl)methanamine?
methoxy-(3-methyl-3-bicyclo[3.3.1]non-1-enyl)methanamine has a molecular weight of 195.31 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-(3-methyl-3-bicyclo[3.3.1]non-1-enyl)methanamine is sourced from PubChem (CID 155440601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).