11,11-dimethyl-9-methylidene-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene

C14H17N — CID 101382992

IUPAC11,11-dimethyl-9-methylidene-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene
SMILESC=C1CC(C)(C)N2CCc3cccc1c32
InChIInChI=1S/C14H17N/c1-10-9-14(2,3)15-8-7-11-5-4-6-12(10)13(11)15/h4-6H,1,7-9H2,2-3H3
InChIKeyOGWONNYILXFTNH-UHFFFAOYSA-N
MW199.30 g/mol
LogP3.24
Rot. Bonds

About 11,11-dimethyl-9-methylidene-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene

11,11-dimethyl-9-methylidene-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene (PubChem CID 101382992) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 11,11-dimethyl-9-methylidene-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene.

Molecular Properties

Compound Name11,11-dimethyl-9-methylidene-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene
PubChem CID101382992
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name11,11-dimethyl-9-methylidene-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene
SMILESC=C1CC(C)(C)N2CCc3cccc1c32
InChIInChI=1S/C14H17N/c1-10-9-14(2,3)15-8-7-11-5-4-6-12(10)13(11)15/h4-6H,1,7-9H2,2-3H3
InChIKeyOGWONNYILXFTNH-UHFFFAOYSA-N
XLogP3.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,4-trimethyl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene
CID 86050504
4-azatricyclo[5.3.1.04,11]undeca-1(11),7,9-triene
CID 15498114
9,11-bis(4-fluorophenyl)-11-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene
CID 102320780
1-(2,6-dimethylphenyl)-2,2-dimethylpiperidin-4-one
CID 117020027
2-methyl-2,4-bis(pent-4-enyl)-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene
CID 71474895
10-methyl-8-methylidene-6-oxa-1-azatetracyclo[8.7.0.03,7.011,16]heptadeca-3(7),4,11,13,15-pentaen-17-one
CID 15417705
2-tert-butyl-1-methylidene-3,4-dihydroisoquinoline
CID 59315433
1-(5-methylidene-2,4-dihydro-1H-3-benzazepin-3-yl)ethanone
CID 147230282
4-ethyl-2,2-dimethyl-4-phenyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
CID 139217264
1-azatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene-9,12-dione
CID 11195004
3-(7-tert-butyl-2,3-dihydroindol-1-yl)-6-methylidenepiperidin-2-one
CID 170079417
1-(1-methyl-2,3-dihydroindol-7-yl)cyclopropan-1-ol
CID 117281567

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-9-methylidene-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene?
The IUPAC name of 11,11-dimethyl-9-methylidene-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene (CID 101382992) is 11,11-dimethyl-9-methylidene-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene.
What is the SMILES notation for 11,11-dimethyl-9-methylidene-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene?
The canonical SMILES for 11,11-dimethyl-9-methylidene-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene is C=C1CC(C)(C)N2CCc3cccc1c32.
What is the InChIKey of 11,11-dimethyl-9-methylidene-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene?
The InChIKey is OGWONNYILXFTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-10-9-14(2,3)15-8-7-11-5-4-6-12(10)13(11)15/h4-6H,1,7-9H2,2-3H3.
What are the key properties of 11,11-dimethyl-9-methylidene-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene?
11,11-dimethyl-9-methylidene-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene has a molecular weight of 199.30 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyl-9-methylidene-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene is sourced from PubChem (CID 101382992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).