4-methyl-5-propan-2-yl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),12-triene

C18H26N2 — CID 20505369

IUPAC4-methyl-5-propan-2-yl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),12-triene
SMILESCC(C)C1CC2=C(CN1C)C1=C3C(=CCC1)NCC3C2
InChIInChI=1S/C18H26N2/c1-11(2)17-8-12-7-13-9-19-16-6-4-5-14(18(13)16)15(12)10-20(17)3/h6,11,13,17,19H,4-5,7-10H2,1-3H3
InChIKeyIHRCNKRKTFMWMO-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.24
Rot. Bonds1

About 4-methyl-5-propan-2-yl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),12-triene

4-methyl-5-propan-2-yl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),12-triene (PubChem CID 20505369) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 4-methyl-5-propan-2-yl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),12-triene.

Molecular Properties

Compound Name4-methyl-5-propan-2-yl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),12-triene
PubChem CID20505369
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name4-methyl-5-propan-2-yl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),12-triene
SMILESCC(C)C1CC2=C(CN1C)C1=C3C(=CCC1)NCC3C2
InChIInChI=1S/C18H26N2/c1-11(2)17-8-12-7-13-9-19-16-6-4-5-14(18(13)16)15(12)10-20(17)3/h6,11,13,17,19H,4-5,7-10H2,1-3H3
InChIKeyIHRCNKRKTFMWMO-UHFFFAOYSA-N
XLogP3.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methyl-5-propan-2-yl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),12-triene 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-5-propan-2-yl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),12-triene?
The IUPAC name of 4-methyl-5-propan-2-yl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),12-triene (CID 20505369) is 4-methyl-5-propan-2-yl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),12-triene.
What is the SMILES notation for 4-methyl-5-propan-2-yl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),12-triene?
The canonical SMILES for 4-methyl-5-propan-2-yl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),12-triene is CC(C)C1CC2=C(CN1C)C1=C3C(=CCC1)NCC3C2.
What is the InChIKey of 4-methyl-5-propan-2-yl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),12-triene?
The InChIKey is IHRCNKRKTFMWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-11(2)17-8-12-7-13-9-19-16-6-4-5-14(18(13)16)15(12)10-20(17)3/h6,11,13,17,19H,4-5,7-10H2,1-3H3.
What are the key properties of 4-methyl-5-propan-2-yl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),12-triene?
4-methyl-5-propan-2-yl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),12-triene has a molecular weight of 270.42 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-propan-2-yl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),12-triene is sourced from PubChem (CID 20505369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).