4-methyl-6-prop-2-enyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,12-tetraene

C18H22N2 — CID 20505365

IUPAC4-methyl-6-prop-2-enyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,12-tetraene
SMILESC=CCC1NC(C)=CC2=C1CC1CNC3=CCCC2=C31
InChIInChI=1S/C18H22N2/c1-3-5-16-15-9-12-10-19-17-7-4-6-13(18(12)17)14(15)8-11(2)20-16/h3,7-8,12,16,19-20H,1,4-6,9-10H2,2H3
InChIKeyCCWVSKWFGBFCRA-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.33
Rot. Bonds2

About 4-methyl-6-prop-2-enyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,12-tetraene

4-methyl-6-prop-2-enyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,12-tetraene (PubChem CID 20505365) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 4-methyl-6-prop-2-enyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,12-tetraene.

Molecular Properties

Compound Name4-methyl-6-prop-2-enyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,12-tetraene
PubChem CID20505365
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name4-methyl-6-prop-2-enyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,12-tetraene
SMILESC=CCC1NC(C)=CC2=C1CC1CNC3=CCCC2=C31
InChIInChI=1S/C18H22N2/c1-3-5-16-15-9-12-10-19-17-7-4-6-13(18(12)17)14(15)8-11(2)20-16/h3,7-8,12,16,19-20H,1,4-6,9-10H2,2H3
InChIKeyCCWVSKWFGBFCRA-UHFFFAOYSA-N
XLogP3.33
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-methyl-6-prop-2-enyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,12-tetraene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-prop-2-enyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,12-tetraene?
The IUPAC name of 4-methyl-6-prop-2-enyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,12-tetraene (CID 20505365) is 4-methyl-6-prop-2-enyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,12-tetraene.
What is the SMILES notation for 4-methyl-6-prop-2-enyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,12-tetraene?
The canonical SMILES for 4-methyl-6-prop-2-enyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,12-tetraene is C=CCC1NC(C)=CC2=C1CC1CNC3=CCCC2=C31.
What is the InChIKey of 4-methyl-6-prop-2-enyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,12-tetraene?
The InChIKey is CCWVSKWFGBFCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-3-5-16-15-9-12-10-19-17-7-4-6-13(18(12)17)14(15)8-11(2)20-16/h3,7-8,12,16,19-20H,1,4-6,9-10H2,2H3.
What are the key properties of 4-methyl-6-prop-2-enyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,12-tetraene?
4-methyl-6-prop-2-enyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,12-tetraene has a molecular weight of 266.39 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-prop-2-enyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,12-tetraene is sourced from PubChem (CID 20505365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).