4,5,10-trimethyl-2-azabicyclo[5.5.0]dodeca-1(7),2,8,11-tetraene

C14H19N — CID 176936590

IUPAC4,5,10-trimethyl-2-azabicyclo[5.5.0]dodeca-1(7),2,8,11-tetraene
SMILESCC1C=CC2=C(C=C1)N=CC(C)C(C)C2
InChIInChI=1S/C14H19N/c1-10-4-6-13-8-11(2)12(3)9-15-14(13)7-5-10/h4-7,9-12H,8H2,1-3H3
InChIKeyIHHGVPVUJSSQCV-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.75
Rot. Bonds

About 4,5,10-trimethyl-2-azabicyclo[5.5.0]dodeca-1(7),2,8,11-tetraene

4,5,10-trimethyl-2-azabicyclo[5.5.0]dodeca-1(7),2,8,11-tetraene (PubChem CID 176936590) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 4,5,10-trimethyl-2-azabicyclo[5.5.0]dodeca-1(7),2,8,11-tetraene.

Molecular Properties

Compound Name4,5,10-trimethyl-2-azabicyclo[5.5.0]dodeca-1(7),2,8,11-tetraene
PubChem CID176936590
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name4,5,10-trimethyl-2-azabicyclo[5.5.0]dodeca-1(7),2,8,11-tetraene
SMILESCC1C=CC2=C(C=C1)N=CC(C)C(C)C2
InChIInChI=1S/C14H19N/c1-10-4-6-13-8-11(2)12(3)9-15-14(13)7-5-10/h4-7,9-12H,8H2,1-3H3
InChIKeyIHHGVPVUJSSQCV-UHFFFAOYSA-N
XLogP3.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(2E,3Z)-3-[(2,4-dimethylcyclobutyl)methylidene]-2-ethylidenepyridine
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CID 91319886
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CID 91413102
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CID 91587646
CID 91587646
6-[(Z)-but-1-enyl]-4-ethyl-3-[(3Z,5Z)-hepta-3,5-dien-2-yl]-3,4-dihydropyridine
CID 118616845
6-Methyl-4-(3-methylidenepent-4-enyl)-3,4-dihydropyridine
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Frequently Asked Questions

What is the IUPAC name of 4,5,10-trimethyl-2-azabicyclo[5.5.0]dodeca-1(7),2,8,11-tetraene?
The IUPAC name of 4,5,10-trimethyl-2-azabicyclo[5.5.0]dodeca-1(7),2,8,11-tetraene (CID 176936590) is 4,5,10-trimethyl-2-azabicyclo[5.5.0]dodeca-1(7),2,8,11-tetraene.
What is the SMILES notation for 4,5,10-trimethyl-2-azabicyclo[5.5.0]dodeca-1(7),2,8,11-tetraene?
The canonical SMILES for 4,5,10-trimethyl-2-azabicyclo[5.5.0]dodeca-1(7),2,8,11-tetraene is CC1C=CC2=C(C=C1)N=CC(C)C(C)C2.
What is the InChIKey of 4,5,10-trimethyl-2-azabicyclo[5.5.0]dodeca-1(7),2,8,11-tetraene?
The InChIKey is IHHGVPVUJSSQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-10-4-6-13-8-11(2)12(3)9-15-14(13)7-5-10/h4-7,9-12H,8H2,1-3H3.
What are the key properties of 4,5,10-trimethyl-2-azabicyclo[5.5.0]dodeca-1(7),2,8,11-tetraene?
4,5,10-trimethyl-2-azabicyclo[5.5.0]dodeca-1(7),2,8,11-tetraene has a molecular weight of 201.31 g/mol, XLogP of 3.75, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,10-trimethyl-2-azabicyclo[5.5.0]dodeca-1(7),2,8,11-tetraene is sourced from PubChem (CID 176936590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).