6-tert-butyl-5-propan-2-yl-3-propyl-1,3-oxazinane

C14H29NO — CID 59996868

IUPAC6-tert-butyl-5-propan-2-yl-3-propyl-1,3-oxazinane
SMILESCCCN1COC(C(C)(C)C)C(C(C)C)C1
InChIInChI=1S/C14H29NO/c1-7-8-15-9-12(11(2)3)13(16-10-15)14(4,5)6/h11-13H,7-10H2,1-6H3
InChIKeyKSKOTYUZFHKLKS-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.37
Rot. Bonds3

About 6-tert-butyl-5-propan-2-yl-3-propyl-1,3-oxazinane

6-tert-butyl-5-propan-2-yl-3-propyl-1,3-oxazinane (PubChem CID 59996868) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 6-tert-butyl-5-propan-2-yl-3-propyl-1,3-oxazinane.

Molecular Properties

Compound Name6-tert-butyl-5-propan-2-yl-3-propyl-1,3-oxazinane
PubChem CID59996868
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name6-tert-butyl-5-propan-2-yl-3-propyl-1,3-oxazinane
SMILESCCCN1COC(C(C)(C)C)C(C(C)C)C1
InChIInChI=1S/C14H29NO/c1-7-8-15-9-12(11(2)3)13(16-10-15)14(4,5)6/h11-13H,7-10H2,1-6H3
InChIKeyKSKOTYUZFHKLKS-UHFFFAOYSA-N
XLogP3.37
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-tert-butyl-5-propan-2-yl-3-propyl-1,3-oxazinane 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 6-tert-butyl-5-propan-2-yl-3-propyl-1,3-oxazinane?
The IUPAC name of 6-tert-butyl-5-propan-2-yl-3-propyl-1,3-oxazinane (CID 59996868) is 6-tert-butyl-5-propan-2-yl-3-propyl-1,3-oxazinane.
What is the SMILES notation for 6-tert-butyl-5-propan-2-yl-3-propyl-1,3-oxazinane?
The canonical SMILES for 6-tert-butyl-5-propan-2-yl-3-propyl-1,3-oxazinane is CCCN1COC(C(C)(C)C)C(C(C)C)C1.
What is the InChIKey of 6-tert-butyl-5-propan-2-yl-3-propyl-1,3-oxazinane?
The InChIKey is KSKOTYUZFHKLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-7-8-15-9-12(11(2)3)13(16-10-15)14(4,5)6/h11-13H,7-10H2,1-6H3.
What are the key properties of 6-tert-butyl-5-propan-2-yl-3-propyl-1,3-oxazinane?
6-tert-butyl-5-propan-2-yl-3-propyl-1,3-oxazinane has a molecular weight of 227.39 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-5-propan-2-yl-3-propyl-1,3-oxazinane is sourced from PubChem (CID 59996868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).