3,3,7-trimethyl-8,9-dihydro-6H-pyrido[4,3-b]azepine

C12H18N2 — CID 143857752

IUPAC3,3,7-trimethyl-8,9-dihydro-6H-pyrido[4,3-b]azepine
SMILESCN1CCC2=C(C=CC(C)(C)C=N2)C1
InChIInChI=1S/C12H18N2/c1-12(2)6-4-10-8-14(3)7-5-11(10)13-9-12/h4,6,9H,5,7-8H2,1-3H3
InChIKeyIXPJJVVVGHSJDD-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.24
Rot. Bonds

About 3,3,7-trimethyl-8,9-dihydro-6H-pyrido[4,3-b]azepine

3,3,7-trimethyl-8,9-dihydro-6H-pyrido[4,3-b]azepine (PubChem CID 143857752) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 3,3,7-trimethyl-8,9-dihydro-6H-pyrido[4,3-b]azepine.

Molecular Properties

Compound Name3,3,7-trimethyl-8,9-dihydro-6H-pyrido[4,3-b]azepine
PubChem CID143857752
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name3,3,7-trimethyl-8,9-dihydro-6H-pyrido[4,3-b]azepine
SMILESCN1CCC2=C(C=CC(C)(C)C=N2)C1
InChIInChI=1S/C12H18N2/c1-12(2)6-4-10-8-14(3)7-5-11(10)13-9-12/h4,6,9H,5,7-8H2,1-3H3
InChIKeyIXPJJVVVGHSJDD-UHFFFAOYSA-N
XLogP2.24
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,7-trimethyl-8,9-dihydro-6H-pyrido[4,3-b]azepine?
The IUPAC name of 3,3,7-trimethyl-8,9-dihydro-6H-pyrido[4,3-b]azepine (CID 143857752) is 3,3,7-trimethyl-8,9-dihydro-6H-pyrido[4,3-b]azepine.
What is the SMILES notation for 3,3,7-trimethyl-8,9-dihydro-6H-pyrido[4,3-b]azepine?
The canonical SMILES for 3,3,7-trimethyl-8,9-dihydro-6H-pyrido[4,3-b]azepine is CN1CCC2=C(C=CC(C)(C)C=N2)C1.
What is the InChIKey of 3,3,7-trimethyl-8,9-dihydro-6H-pyrido[4,3-b]azepine?
The InChIKey is IXPJJVVVGHSJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-12(2)6-4-10-8-14(3)7-5-11(10)13-9-12/h4,6,9H,5,7-8H2,1-3H3.
What are the key properties of 3,3,7-trimethyl-8,9-dihydro-6H-pyrido[4,3-b]azepine?
3,3,7-trimethyl-8,9-dihydro-6H-pyrido[4,3-b]azepine has a molecular weight of 190.29 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,7-trimethyl-8,9-dihydro-6H-pyrido[4,3-b]azepine is sourced from PubChem (CID 143857752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).