6-methyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-c]azepine

C10H14N2 — CID 144887040

IUPAC6-methyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-c]azepine
SMILESCC1C=NC=C2NCCCC2=C1
InChIInChI=1S/C10H14N2/c1-8-5-9-3-2-4-12-10(9)7-11-6-8/h5-8,12H,2-4H2,1H3
InChIKeyBYNRWZYKMHCZHV-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.86
Rot. Bonds

About 6-methyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-c]azepine

6-methyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-c]azepine (PubChem CID 144887040) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 6-methyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-c]azepine.

Molecular Properties

Compound Name6-methyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-c]azepine
PubChem CID144887040
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name6-methyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-c]azepine
SMILESCC1C=NC=C2NCCCC2=C1
InChIInChI=1S/C10H14N2/c1-8-5-9-3-2-4-12-10(9)7-11-6-8/h5-8,12H,2-4H2,1H3
InChIKeyBYNRWZYKMHCZHV-UHFFFAOYSA-N
XLogP1.86
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-c]azepine?
The IUPAC name of 6-methyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-c]azepine (CID 144887040) is 6-methyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-c]azepine.
What is the SMILES notation for 6-methyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-c]azepine?
The canonical SMILES for 6-methyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-c]azepine is CC1C=NC=C2NCCCC2=C1.
What is the InChIKey of 6-methyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-c]azepine?
The InChIKey is BYNRWZYKMHCZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-8-5-9-3-2-4-12-10(9)7-11-6-8/h5-8,12H,2-4H2,1H3.
What are the key properties of 6-methyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-c]azepine?
6-methyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-c]azepine has a molecular weight of 162.24 g/mol, XLogP of 1.86, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-c]azepine is sourced from PubChem (CID 144887040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).