4-methyl-6-propan-2-yl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene

C18H24N2 — CID 70523603

IUPAC4-methyl-6-propan-2-yl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene
SMILESCC1=CC2=C3CCC=C4NCC(=C43)CC2C(C(C)C)N1
InChIInChI=1S/C18H24N2/c1-10(2)18-15-8-12-9-19-16-6-4-5-13(17(12)16)14(15)7-11(3)20-18/h6-7,10,15,18-20H,4-5,8-9H2,1-3H3
InChIKeyMFSXKSBZMFBCED-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.41
Rot. Bonds1

About 4-methyl-6-propan-2-yl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene

4-methyl-6-propan-2-yl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene (PubChem CID 70523603) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-methyl-6-propan-2-yl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene.

Molecular Properties

Compound Name4-methyl-6-propan-2-yl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene
PubChem CID70523603
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name4-methyl-6-propan-2-yl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene
SMILESCC1=CC2=C3CCC=C4NCC(=C43)CC2C(C(C)C)N1
InChIInChI=1S/C18H24N2/c1-10(2)18-15-8-12-9-19-16-6-4-5-13(17(12)16)14(15)7-11(3)20-18/h6-7,10,15,18-20H,4-5,8-9H2,1-3H3
InChIKeyMFSXKSBZMFBCED-UHFFFAOYSA-N
XLogP3.41
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-propan-2-yl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene?
The IUPAC name of 4-methyl-6-propan-2-yl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene (CID 70523603) is 4-methyl-6-propan-2-yl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene.
What is the SMILES notation for 4-methyl-6-propan-2-yl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene?
The canonical SMILES for 4-methyl-6-propan-2-yl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene is CC1=CC2=C3CCC=C4NCC(=C43)CC2C(C(C)C)N1.
What is the InChIKey of 4-methyl-6-propan-2-yl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene?
The InChIKey is MFSXKSBZMFBCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-10(2)18-15-8-12-9-19-16-6-4-5-13(17(12)16)14(15)7-11(3)20-18/h6-7,10,15,18-20H,4-5,8-9H2,1-3H3.
What are the key properties of 4-methyl-6-propan-2-yl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene?
4-methyl-6-propan-2-yl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene has a molecular weight of 268.40 g/mol, XLogP of 3.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-propan-2-yl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene is sourced from PubChem (CID 70523603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).