2-(3-methylbutyl)-5,6-dihydro-4H-1,3-oxazine

C9H17NO — CID 175495301

IUPAC2-(3-methylbutyl)-5,6-dihydro-4H-1,3-oxazine
SMILESCC(C)CCC1=NCCCO1
InChIInChI=1S/C9H17NO/c1-8(2)4-5-9-10-6-3-7-11-9/h8H,3-7H2,1-2H3
InChIKeyLDDNEFXIQPNGEF-UHFFFAOYSA-N
MW155.24 g/mol
LogP2.24
Rot. Bonds3

About 2-(3-methylbutyl)-5,6-dihydro-4H-1,3-oxazine

2-(3-methylbutyl)-5,6-dihydro-4H-1,3-oxazine (PubChem CID 175495301) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-(3-methylbutyl)-5,6-dihydro-4H-1,3-oxazine.

Molecular Properties

Compound Name2-(3-methylbutyl)-5,6-dihydro-4H-1,3-oxazine
PubChem CID175495301
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-(3-methylbutyl)-5,6-dihydro-4H-1,3-oxazine
SMILESCC(C)CCC1=NCCCO1
InChIInChI=1S/C9H17NO/c1-8(2)4-5-9-10-6-3-7-11-9/h8H,3-7H2,1-2H3
InChIKeyLDDNEFXIQPNGEF-UHFFFAOYSA-N
XLogP2.24
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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-(3-methylbutyl)-5,6-dihydro-4H-1,3-oxazine 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-(3-methylbutyl)-5,6-dihydro-4H-1,3-oxazine?
The IUPAC name of 2-(3-methylbutyl)-5,6-dihydro-4H-1,3-oxazine (CID 175495301) is 2-(3-methylbutyl)-5,6-dihydro-4H-1,3-oxazine.
What is the SMILES notation for 2-(3-methylbutyl)-5,6-dihydro-4H-1,3-oxazine?
The canonical SMILES for 2-(3-methylbutyl)-5,6-dihydro-4H-1,3-oxazine is CC(C)CCC1=NCCCO1.
What is the InChIKey of 2-(3-methylbutyl)-5,6-dihydro-4H-1,3-oxazine?
The InChIKey is LDDNEFXIQPNGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-8(2)4-5-9-10-6-3-7-11-9/h8H,3-7H2,1-2H3.
What are the key properties of 2-(3-methylbutyl)-5,6-dihydro-4H-1,3-oxazine?
2-(3-methylbutyl)-5,6-dihydro-4H-1,3-oxazine has a molecular weight of 155.24 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutyl)-5,6-dihydro-4H-1,3-oxazine is sourced from PubChem (CID 175495301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).