3-butyl-6-propan-2-yl-2,4-dihydro-1,3-oxazine

C11H21NO — CID 141207116

IUPAC3-butyl-6-propan-2-yl-2,4-dihydro-1,3-oxazine
SMILESCCCCN1CC=C(C(C)C)OC1
InChIInChI=1S/C11H21NO/c1-4-5-7-12-8-6-11(10(2)3)13-9-12/h6,10H,4-5,7-9H2,1-3H3
InChIKeyYMKMSQYGUBOKDW-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.62
Rot. Bonds4

About 3-butyl-6-propan-2-yl-2,4-dihydro-1,3-oxazine

3-butyl-6-propan-2-yl-2,4-dihydro-1,3-oxazine (PubChem CID 141207116) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-butyl-6-propan-2-yl-2,4-dihydro-1,3-oxazine.

Molecular Properties

Compound Name3-butyl-6-propan-2-yl-2,4-dihydro-1,3-oxazine
PubChem CID141207116
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-butyl-6-propan-2-yl-2,4-dihydro-1,3-oxazine
SMILESCCCCN1CC=C(C(C)C)OC1
InChIInChI=1S/C11H21NO/c1-4-5-7-12-8-6-11(10(2)3)13-9-12/h6,10H,4-5,7-9H2,1-3H3
InChIKeyYMKMSQYGUBOKDW-UHFFFAOYSA-N
XLogP2.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-butyl-6-propan-2-yl-2,4-dihydro-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 3-butyl-6-propan-2-yl-2,4-dihydro-1,3-oxazine?
The IUPAC name of 3-butyl-6-propan-2-yl-2,4-dihydro-1,3-oxazine (CID 141207116) is 3-butyl-6-propan-2-yl-2,4-dihydro-1,3-oxazine.
What is the SMILES notation for 3-butyl-6-propan-2-yl-2,4-dihydro-1,3-oxazine?
The canonical SMILES for 3-butyl-6-propan-2-yl-2,4-dihydro-1,3-oxazine is CCCCN1CC=C(C(C)C)OC1.
What is the InChIKey of 3-butyl-6-propan-2-yl-2,4-dihydro-1,3-oxazine?
The InChIKey is YMKMSQYGUBOKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-5-7-12-8-6-11(10(2)3)13-9-12/h6,10H,4-5,7-9H2,1-3H3.
What are the key properties of 3-butyl-6-propan-2-yl-2,4-dihydro-1,3-oxazine?
3-butyl-6-propan-2-yl-2,4-dihydro-1,3-oxazine has a molecular weight of 183.29 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-6-propan-2-yl-2,4-dihydro-1,3-oxazine is sourced from PubChem (CID 141207116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).