2-methyl-2,5,6,7,8,9-hexahydro-1H-pyrido[2,3-d]azepine

C10H16N2 — CID 69188077

IUPAC2-methyl-2,5,6,7,8,9-hexahydro-1H-pyrido[2,3-d]azepine
SMILESCC1C=CC2=C(CCNCC2)N1
InChIInChI=1S/C10H16N2/c1-8-2-3-9-4-6-11-7-5-10(9)12-8/h2-3,8,11-12H,4-7H2,1H3
InChIKeyMBNZMSAKPKWADW-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.17
Rot. Bonds

About 2-methyl-2,5,6,7,8,9-hexahydro-1H-pyrido[2,3-d]azepine

2-methyl-2,5,6,7,8,9-hexahydro-1H-pyrido[2,3-d]azepine (PubChem CID 69188077) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-methyl-2,5,6,7,8,9-hexahydro-1H-pyrido[2,3-d]azepine.

Molecular Properties

Compound Name2-methyl-2,5,6,7,8,9-hexahydro-1H-pyrido[2,3-d]azepine
PubChem CID69188077
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name2-methyl-2,5,6,7,8,9-hexahydro-1H-pyrido[2,3-d]azepine
SMILESCC1C=CC2=C(CCNCC2)N1
InChIInChI=1S/C10H16N2/c1-8-2-3-9-4-6-11-7-5-10(9)12-8/h2-3,8,11-12H,4-7H2,1H3
InChIKeyMBNZMSAKPKWADW-UHFFFAOYSA-N
XLogP1.17
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,5,6,7,8,9-hexahydro-1H-pyrido[2,3-d]azepine?
The IUPAC name of 2-methyl-2,5,6,7,8,9-hexahydro-1H-pyrido[2,3-d]azepine (CID 69188077) is 2-methyl-2,5,6,7,8,9-hexahydro-1H-pyrido[2,3-d]azepine.
What is the SMILES notation for 2-methyl-2,5,6,7,8,9-hexahydro-1H-pyrido[2,3-d]azepine?
The canonical SMILES for 2-methyl-2,5,6,7,8,9-hexahydro-1H-pyrido[2,3-d]azepine is CC1C=CC2=C(CCNCC2)N1.
What is the InChIKey of 2-methyl-2,5,6,7,8,9-hexahydro-1H-pyrido[2,3-d]azepine?
The InChIKey is MBNZMSAKPKWADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-8-2-3-9-4-6-11-7-5-10(9)12-8/h2-3,8,11-12H,4-7H2,1H3.
What are the key properties of 2-methyl-2,5,6,7,8,9-hexahydro-1H-pyrido[2,3-d]azepine?
2-methyl-2,5,6,7,8,9-hexahydro-1H-pyrido[2,3-d]azepine has a molecular weight of 164.25 g/mol, XLogP of 1.17, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,5,6,7,8,9-hexahydro-1H-pyrido[2,3-d]azepine is sourced from PubChem (CID 69188077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).