2,7,9,10-tetramethyl-1,2,3,4,6,7,8,10a-octahydropyrido[1,2-a]azepine

C14H25N — CID 91573833

IUPAC2,7,9,10-tetramethyl-1,2,3,4,6,7,8,10a-octahydropyrido[1,2-a]azepine
SMILESCC1=C(C)C2CC(C)CCN2CC(C)C1
InChIInChI=1S/C14H25N/c1-10-5-6-15-9-11(2)7-12(3)13(4)14(15)8-10/h10-11,14H,5-9H2,1-4H3
InChIKeyYDFOHRIJWAHHRI-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.46
Rot. Bonds

About 2,7,9,10-tetramethyl-1,2,3,4,6,7,8,10a-octahydropyrido[1,2-a]azepine

2,7,9,10-tetramethyl-1,2,3,4,6,7,8,10a-octahydropyrido[1,2-a]azepine (PubChem CID 91573833) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 2,7,9,10-tetramethyl-1,2,3,4,6,7,8,10a-octahydropyrido[1,2-a]azepine.

Molecular Properties

Compound Name2,7,9,10-tetramethyl-1,2,3,4,6,7,8,10a-octahydropyrido[1,2-a]azepine
PubChem CID91573833
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name2,7,9,10-tetramethyl-1,2,3,4,6,7,8,10a-octahydropyrido[1,2-a]azepine
SMILESCC1=C(C)C2CC(C)CCN2CC(C)C1
InChIInChI=1S/C14H25N/c1-10-5-6-15-9-11(2)7-12(3)13(4)14(15)8-10/h10-11,14H,5-9H2,1-4H3
InChIKeyYDFOHRIJWAHHRI-UHFFFAOYSA-N
XLogP3.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,7,9,10-tetramethyl-1,2,3,4,6,7,8,10a-octahydropyrido[1,2-a]azepine?
The IUPAC name of 2,7,9,10-tetramethyl-1,2,3,4,6,7,8,10a-octahydropyrido[1,2-a]azepine (CID 91573833) is 2,7,9,10-tetramethyl-1,2,3,4,6,7,8,10a-octahydropyrido[1,2-a]azepine.
What is the SMILES notation for 2,7,9,10-tetramethyl-1,2,3,4,6,7,8,10a-octahydropyrido[1,2-a]azepine?
The canonical SMILES for 2,7,9,10-tetramethyl-1,2,3,4,6,7,8,10a-octahydropyrido[1,2-a]azepine is CC1=C(C)C2CC(C)CCN2CC(C)C1.
What is the InChIKey of 2,7,9,10-tetramethyl-1,2,3,4,6,7,8,10a-octahydropyrido[1,2-a]azepine?
The InChIKey is YDFOHRIJWAHHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-10-5-6-15-9-11(2)7-12(3)13(4)14(15)8-10/h10-11,14H,5-9H2,1-4H3.
What are the key properties of 2,7,9,10-tetramethyl-1,2,3,4,6,7,8,10a-octahydropyrido[1,2-a]azepine?
2,7,9,10-tetramethyl-1,2,3,4,6,7,8,10a-octahydropyrido[1,2-a]azepine has a molecular weight of 207.36 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,9,10-tetramethyl-1,2,3,4,6,7,8,10a-octahydropyrido[1,2-a]azepine is sourced from PubChem (CID 91573833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).