7,12-dimethyl-4-methylidene-3-prop-1-en-2-yl-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene

C18H21N — CID 143226772

IUPAC7,12-dimethyl-4-methylidene-3-prop-1-en-2-yl-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene
SMILESC=C(C)C1=CN2c3c(cc(C)cc3C1=C)CCC2C
InChIInChI=1S/C18H21N/c1-11(2)17-10-19-13(4)6-7-15-8-12(3)9-16(14(17)5)18(15)19/h8-10,13H,1,5-7H2,2-4H3
InChIKeyBLNOMMXCTGCTHZ-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.62
Rot. Bonds1

About 7,12-dimethyl-4-methylidene-3-prop-1-en-2-yl-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene

7,12-dimethyl-4-methylidene-3-prop-1-en-2-yl-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene (PubChem CID 143226772) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 7,12-dimethyl-4-methylidene-3-prop-1-en-2-yl-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene.

Molecular Properties

Compound Name7,12-dimethyl-4-methylidene-3-prop-1-en-2-yl-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene
PubChem CID143226772
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name7,12-dimethyl-4-methylidene-3-prop-1-en-2-yl-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene
SMILESC=C(C)C1=CN2c3c(cc(C)cc3C1=C)CCC2C
InChIInChI=1S/C18H21N/c1-11(2)17-10-19-13(4)6-7-15-8-12(3)9-16(14(17)5)18(15)19/h8-10,13H,1,5-7H2,2-4H3
InChIKeyBLNOMMXCTGCTHZ-UHFFFAOYSA-N
XLogP4.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7,12-dimethyl-4-methylidene-3-prop-1-en-2-yl-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene?
The IUPAC name of 7,12-dimethyl-4-methylidene-3-prop-1-en-2-yl-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene (CID 143226772) is 7,12-dimethyl-4-methylidene-3-prop-1-en-2-yl-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene.
What is the SMILES notation for 7,12-dimethyl-4-methylidene-3-prop-1-en-2-yl-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene?
The canonical SMILES for 7,12-dimethyl-4-methylidene-3-prop-1-en-2-yl-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene is C=C(C)C1=CN2c3c(cc(C)cc3C1=C)CCC2C.
What is the InChIKey of 7,12-dimethyl-4-methylidene-3-prop-1-en-2-yl-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene?
The InChIKey is BLNOMMXCTGCTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-11(2)17-10-19-13(4)6-7-15-8-12(3)9-16(14(17)5)18(15)19/h8-10,13H,1,5-7H2,2-4H3.
What are the key properties of 7,12-dimethyl-4-methylidene-3-prop-1-en-2-yl-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene?
7,12-dimethyl-4-methylidene-3-prop-1-en-2-yl-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene has a molecular weight of 251.37 g/mol, XLogP of 4.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,12-dimethyl-4-methylidene-3-prop-1-en-2-yl-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene is sourced from PubChem (CID 143226772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).