2,4,8,10a-tetramethyl-10H-pyrido[1,2-a]azepine

C14H19N — CID 23242471

IUPAC2,4,8,10a-tetramethyl-10H-pyrido[1,2-a]azepine
SMILESCC1=CCC2(C)C=C(C)C=C(C)N2C=C1
InChIInChI=1S/C14H19N/c1-11-5-7-14(4)10-12(2)9-13(3)15(14)8-6-11/h5-6,8-10H,7H2,1-4H3
InChIKeyMBMXDGOFYINWQQ-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.77
Rot. Bonds

About 2,4,8,10a-tetramethyl-10H-pyrido[1,2-a]azepine

2,4,8,10a-tetramethyl-10H-pyrido[1,2-a]azepine (PubChem CID 23242471) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 2,4,8,10a-tetramethyl-10H-pyrido[1,2-a]azepine.

Molecular Properties

Compound Name2,4,8,10a-tetramethyl-10H-pyrido[1,2-a]azepine
PubChem CID23242471
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name2,4,8,10a-tetramethyl-10H-pyrido[1,2-a]azepine
SMILESCC1=CCC2(C)C=C(C)C=C(C)N2C=C1
InChIInChI=1S/C14H19N/c1-11-5-7-14(4)10-12(2)9-13(3)15(14)8-6-11/h5-6,8-10H,7H2,1-4H3
InChIKeyMBMXDGOFYINWQQ-UHFFFAOYSA-N
XLogP3.77
TPSA3.24 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 ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4,8,10a-tetramethyl-10H-pyrido[1,2-a]azepine?
The IUPAC name of 2,4,8,10a-tetramethyl-10H-pyrido[1,2-a]azepine (CID 23242471) is 2,4,8,10a-tetramethyl-10H-pyrido[1,2-a]azepine.
What is the SMILES notation for 2,4,8,10a-tetramethyl-10H-pyrido[1,2-a]azepine?
The canonical SMILES for 2,4,8,10a-tetramethyl-10H-pyrido[1,2-a]azepine is CC1=CCC2(C)C=C(C)C=C(C)N2C=C1.
What is the InChIKey of 2,4,8,10a-tetramethyl-10H-pyrido[1,2-a]azepine?
The InChIKey is MBMXDGOFYINWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-11-5-7-14(4)10-12(2)9-13(3)15(14)8-6-11/h5-6,8-10H,7H2,1-4H3.
What are the key properties of 2,4,8,10a-tetramethyl-10H-pyrido[1,2-a]azepine?
2,4,8,10a-tetramethyl-10H-pyrido[1,2-a]azepine has a molecular weight of 201.31 g/mol, XLogP of 3.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,8,10a-tetramethyl-10H-pyrido[1,2-a]azepine is sourced from PubChem (CID 23242471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).