2-propan-2-yl-5,6,7,8-tetrahydro-4H-1,3-oxazocine

C9H17NO — CID 138663952

IUPAC2-propan-2-yl-5,6,7,8-tetrahydro-4H-1,3-oxazocine
SMILESCC(C)/C1=N/CCCCCO1
InChIInChI=1S/C9H17NO/c1-8(2)9-10-6-4-3-5-7-11-9/h8H,3-7H2,1-2H3/b10-9-
InChIKeyHAXQWXXQLUHDFV-KTKRTIGZSA-N
MW155.24 g/mol
LogP2.24
Rot. Bonds1

About 2-propan-2-yl-5,6,7,8-tetrahydro-4H-1,3-oxazocine

2-propan-2-yl-5,6,7,8-tetrahydro-4H-1,3-oxazocine (PubChem CID 138663952) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-propan-2-yl-5,6,7,8-tetrahydro-4H-1,3-oxazocine.

Molecular Properties

Compound Name2-propan-2-yl-5,6,7,8-tetrahydro-4H-1,3-oxazocine
PubChem CID138663952
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-propan-2-yl-5,6,7,8-tetrahydro-4H-1,3-oxazocine
SMILESCC(C)/C1=N/CCCCCO1
InChIInChI=1S/C9H17NO/c1-8(2)9-10-6-4-3-5-7-11-9/h8H,3-7H2,1-2H3/b10-9-
InChIKeyHAXQWXXQLUHDFV-KTKRTIGZSA-N
XLogP2.24
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-propan-2-yl-5,6,7,8-tetrahydro-4H-1,3-oxazocine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5,6,7,8-tetrahydro-4H-1,3-oxazocine?
The IUPAC name of 2-propan-2-yl-5,6,7,8-tetrahydro-4H-1,3-oxazocine (CID 138663952) is 2-propan-2-yl-5,6,7,8-tetrahydro-4H-1,3-oxazocine.
What is the SMILES notation for 2-propan-2-yl-5,6,7,8-tetrahydro-4H-1,3-oxazocine?
The canonical SMILES for 2-propan-2-yl-5,6,7,8-tetrahydro-4H-1,3-oxazocine is CC(C)/C1=N/CCCCCO1.
What is the InChIKey of 2-propan-2-yl-5,6,7,8-tetrahydro-4H-1,3-oxazocine?
The InChIKey is HAXQWXXQLUHDFV-KTKRTIGZSA-N. The full InChI is InChI=1S/C9H17NO/c1-8(2)9-10-6-4-3-5-7-11-9/h8H,3-7H2,1-2H3/b10-9-.
What are the key properties of 2-propan-2-yl-5,6,7,8-tetrahydro-4H-1,3-oxazocine?
2-propan-2-yl-5,6,7,8-tetrahydro-4H-1,3-oxazocine has a molecular weight of 155.24 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5,6,7,8-tetrahydro-4H-1,3-oxazocine is sourced from PubChem (CID 138663952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).