2-tert-butyl-8-methyl-10,10a-dihydropyrido[1,2-a]azepine

C15H21N — CID 10878547

IUPAC2-tert-butyl-8-methyl-10,10a-dihydropyrido[1,2-a]azepine
SMILESCC1=CCC2C=C(C(C)(C)C)C=CN2C=C1
InChIInChI=1S/C15H21N/c1-12-5-6-14-11-13(15(2,3)4)8-10-16(14)9-7-12/h5,7-11,14H,6H2,1-4H3
InChIKeyFXBXVNOKSGJYHS-UHFFFAOYSA-N
MW215.34 g/mol
LogP4.02
Rot. Bonds

About 2-tert-butyl-8-methyl-10,10a-dihydropyrido[1,2-a]azepine

2-tert-butyl-8-methyl-10,10a-dihydropyrido[1,2-a]azepine (PubChem CID 10878547) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-tert-butyl-8-methyl-10,10a-dihydropyrido[1,2-a]azepine.

Molecular Properties

Compound Name2-tert-butyl-8-methyl-10,10a-dihydropyrido[1,2-a]azepine
PubChem CID10878547
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name2-tert-butyl-8-methyl-10,10a-dihydropyrido[1,2-a]azepine
SMILESCC1=CCC2C=C(C(C)(C)C)C=CN2C=C1
InChIInChI=1S/C15H21N/c1-12-5-6-14-11-13(15(2,3)4)8-10-16(14)9-7-12/h5,7-11,14H,6H2,1-4H3
InChIKeyFXBXVNOKSGJYHS-UHFFFAOYSA-N
XLogP4.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-8-methyl-10,10a-dihydropyrido[1,2-a]azepine?
The IUPAC name of 2-tert-butyl-8-methyl-10,10a-dihydropyrido[1,2-a]azepine (CID 10878547) is 2-tert-butyl-8-methyl-10,10a-dihydropyrido[1,2-a]azepine.
What is the SMILES notation for 2-tert-butyl-8-methyl-10,10a-dihydropyrido[1,2-a]azepine?
The canonical SMILES for 2-tert-butyl-8-methyl-10,10a-dihydropyrido[1,2-a]azepine is CC1=CCC2C=C(C(C)(C)C)C=CN2C=C1.
What is the InChIKey of 2-tert-butyl-8-methyl-10,10a-dihydropyrido[1,2-a]azepine?
The InChIKey is FXBXVNOKSGJYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-12-5-6-14-11-13(15(2,3)4)8-10-16(14)9-7-12/h5,7-11,14H,6H2,1-4H3.
What are the key properties of 2-tert-butyl-8-methyl-10,10a-dihydropyrido[1,2-a]azepine?
2-tert-butyl-8-methyl-10,10a-dihydropyrido[1,2-a]azepine has a molecular weight of 215.34 g/mol, XLogP of 4.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-8-methyl-10,10a-dihydropyrido[1,2-a]azepine is sourced from PubChem (CID 10878547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).