1,13-dimethyl-10-prop-2-enyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene

C17H23N — CID 15767675

IUPAC1,13-dimethyl-10-prop-2-enyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene
SMILESC=CCN1CCC2(C)c3ccccc3CC1C2C
InChIInChI=1S/C17H23N/c1-4-10-18-11-9-17(3)13(2)16(18)12-14-7-5-6-8-15(14)17/h4-8,13,16H,1,9-12H2,2-3H3
InChIKeyDCDPEUIZVWTSCT-UHFFFAOYSA-N
MW241.38 g/mol
LogP3.40
Rot. Bonds2

About 1,13-dimethyl-10-prop-2-enyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene

1,13-dimethyl-10-prop-2-enyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene (PubChem CID 15767675) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is 1,13-dimethyl-10-prop-2-enyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene.

Molecular Properties

Compound Name1,13-dimethyl-10-prop-2-enyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene
PubChem CID15767675
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name1,13-dimethyl-10-prop-2-enyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene
SMILESC=CCN1CCC2(C)c3ccccc3CC1C2C
InChIInChI=1S/C17H23N/c1-4-10-18-11-9-17(3)13(2)16(18)12-14-7-5-6-8-15(14)17/h4-8,13,16H,1,9-12H2,2-3H3
InChIKeyDCDPEUIZVWTSCT-UHFFFAOYSA-N
XLogP3.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 53.40
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-prop-2-enyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene?
The IUPAC name of 1,13-dimethyl-10-prop-2-enyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene (CID 15767675) is 1,13-dimethyl-10-prop-2-enyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene.
What is the SMILES notation for 1,13-dimethyl-10-prop-2-enyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene?
The canonical SMILES for 1,13-dimethyl-10-prop-2-enyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene is C=CCN1CCC2(C)c3ccccc3CC1C2C.
What is the InChIKey of 1,13-dimethyl-10-prop-2-enyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene?
The InChIKey is DCDPEUIZVWTSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N/c1-4-10-18-11-9-17(3)13(2)16(18)12-14-7-5-6-8-15(14)17/h4-8,13,16H,1,9-12H2,2-3H3.
What are the key properties of 1,13-dimethyl-10-prop-2-enyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene?
1,13-dimethyl-10-prop-2-enyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene has a molecular weight of 241.38 g/mol, XLogP of 3.40, 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-prop-2-enyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene is sourced from PubChem (CID 15767675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).