2,7,8,9-tetramethyl-4,5-di(propan-2-yl)pyrido[3,2-b]azepine

C19H28N2 — CID 170522688

IUPAC2,7,8,9-tetramethyl-4,5-di(propan-2-yl)pyrido[3,2-b]azepine
SMILESCC1=CN(C(C)C)c2c(C(C)C)cc(C)nc2C(C)=C1C
InChIInChI=1S/C19H28N2/c1-11(2)17-9-14(6)20-18-16(8)15(7)13(5)10-21(12(3)4)19(17)18/h9-12H,1-8H3
InChIKeySPUBBUMDBVMXEQ-UHFFFAOYSA-N
MW284.45 g/mol
LogP5.44
Rot. Bonds2

About 2,7,8,9-tetramethyl-4,5-di(propan-2-yl)pyrido[3,2-b]azepine

2,7,8,9-tetramethyl-4,5-di(propan-2-yl)pyrido[3,2-b]azepine (PubChem CID 170522688) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 2,7,8,9-tetramethyl-4,5-di(propan-2-yl)pyrido[3,2-b]azepine.

Molecular Properties

Compound Name2,7,8,9-tetramethyl-4,5-di(propan-2-yl)pyrido[3,2-b]azepine
PubChem CID170522688
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC Name2,7,8,9-tetramethyl-4,5-di(propan-2-yl)pyrido[3,2-b]azepine
SMILESCC1=CN(C(C)C)c2c(C(C)C)cc(C)nc2C(C)=C1C
InChIInChI=1S/C19H28N2/c1-11(2)17-9-14(6)20-18-16(8)15(7)13(5)10-21(12(3)4)19(17)18/h9-12H,1-8H3
InChIKeySPUBBUMDBVMXEQ-UHFFFAOYSA-N
XLogP5.44
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.45
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,7,8,9-tetramethyl-4,5-di(propan-2-yl)pyrido[3,2-b]azepine?
The IUPAC name of 2,7,8,9-tetramethyl-4,5-di(propan-2-yl)pyrido[3,2-b]azepine (CID 170522688) is 2,7,8,9-tetramethyl-4,5-di(propan-2-yl)pyrido[3,2-b]azepine.
What is the SMILES notation for 2,7,8,9-tetramethyl-4,5-di(propan-2-yl)pyrido[3,2-b]azepine?
The canonical SMILES for 2,7,8,9-tetramethyl-4,5-di(propan-2-yl)pyrido[3,2-b]azepine is CC1=CN(C(C)C)c2c(C(C)C)cc(C)nc2C(C)=C1C.
What is the InChIKey of 2,7,8,9-tetramethyl-4,5-di(propan-2-yl)pyrido[3,2-b]azepine?
The InChIKey is SPUBBUMDBVMXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2/c1-11(2)17-9-14(6)20-18-16(8)15(7)13(5)10-21(12(3)4)19(17)18/h9-12H,1-8H3.
What are the key properties of 2,7,8,9-tetramethyl-4,5-di(propan-2-yl)pyrido[3,2-b]azepine?
2,7,8,9-tetramethyl-4,5-di(propan-2-yl)pyrido[3,2-b]azepine has a molecular weight of 284.45 g/mol, XLogP of 5.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,8,9-tetramethyl-4,5-di(propan-2-yl)pyrido[3,2-b]azepine is sourced from PubChem (CID 170522688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).