1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene

C19H27N — CID 15767674

IUPAC1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene
SMILESCC(C)=CCN1CCC2(C)c3ccccc3CC1C2C
InChIInChI=1S/C19H27N/c1-14(2)9-11-20-12-10-19(4)15(3)18(20)13-16-7-5-6-8-17(16)19/h5-9,15,18H,10-13H2,1-4H3
InChIKeyLVXVKULGFQUGIV-UHFFFAOYSA-N
MW269.43 g/mol
LogP4.18
Rot. Bonds2

About 1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene

1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene (PubChem CID 15767674) has the molecular formula C19H27N and a molecular weight of 269.43 g/mol. Its IUPAC name is 1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene.

Molecular Properties

Compound Name1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene
PubChem CID15767674
Molecular FormulaC19H27N
Molecular Weight269.43 g/mol
Exact Mass269.21
IUPAC Name1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene
SMILESCC(C)=CCN1CCC2(C)c3ccccc3CC1C2C
InChIInChI=1S/C19H27N/c1-14(2)9-11-20-12-10-19(4)15(3)18(20)13-16-7-5-6-8-17(16)19/h5-9,15,18H,10-13H2,1-4H3
InChIKeyLVXVKULGFQUGIV-UHFFFAOYSA-N
XLogP4.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 54.18
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 1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene?
The IUPAC name of 1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene (CID 15767674) is 1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene.
What is the SMILES notation for 1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene?
The canonical SMILES for 1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene is CC(C)=CCN1CCC2(C)c3ccccc3CC1C2C.
What is the InChIKey of 1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene?
The InChIKey is LVXVKULGFQUGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N/c1-14(2)9-11-20-12-10-19(4)15(3)18(20)13-16-7-5-6-8-17(16)19/h5-9,15,18H,10-13H2,1-4H3.
What are the key properties of 1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene?
1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene has a molecular weight of 269.43 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene is sourced from PubChem (CID 15767674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).