6-(2,3-dimethylbutyl)-3,4-dimethyl-4H-oxazine

C12H21NO — CID 146581273

IUPAC6-(2,3-dimethylbutyl)-3,4-dimethyl-4H-oxazine
SMILESCC1=NOC(CC(C)C(C)C)=CC1C
InChIInChI=1S/C12H21NO/c1-8(2)9(3)6-12-7-10(4)11(5)13-14-12/h7-10H,6H2,1-5H3
InChIKeyFUQPMVZRVUZLSY-UHFFFAOYSA-N
MW195.31 g/mol
LogP3.59
Rot. Bonds3

About 6-(2,3-dimethylbutyl)-3,4-dimethyl-4H-oxazine

6-(2,3-dimethylbutyl)-3,4-dimethyl-4H-oxazine (PubChem CID 146581273) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 6-(2,3-dimethylbutyl)-3,4-dimethyl-4H-oxazine.

Molecular Properties

Compound Name6-(2,3-dimethylbutyl)-3,4-dimethyl-4H-oxazine
PubChem CID146581273
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name6-(2,3-dimethylbutyl)-3,4-dimethyl-4H-oxazine
SMILESCC1=NOC(CC(C)C(C)C)=CC1C
InChIInChI=1S/C12H21NO/c1-8(2)9(3)6-12-7-10(4)11(5)13-14-12/h7-10H,6H2,1-5H3
InChIKeyFUQPMVZRVUZLSY-UHFFFAOYSA-N
XLogP3.59
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-Dimethyl-7-[1-(1-methylcyclopropyl)ethyl]-4,5-dihydrooxazepine
CID 91437613
4,7-Dimethyl-3-propan-2-yl-4,5-dihydrooxazepine
CID 91564422
3-ethyl-4,6-dimethyl-4H-oxazine
CID 142167099
6-methyl-3-(2-methylpropyl)-4H-oxazine
CID 143219950
3,4-Dimethyl-7-propyl-4,5-dihydrooxazepine
CID 166706334
3-Butyl-4a,5,6,7,8,9-hexahydrocyclohepta[c]oxazine
CID 141880107
(E)-N-[(E)-hex-2-en-2-yl]oxy-3-methylbutan-2-imine
CID 178166520

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dimethylbutyl)-3,4-dimethyl-4H-oxazine?
The IUPAC name of 6-(2,3-dimethylbutyl)-3,4-dimethyl-4H-oxazine (CID 146581273) is 6-(2,3-dimethylbutyl)-3,4-dimethyl-4H-oxazine.
What is the SMILES notation for 6-(2,3-dimethylbutyl)-3,4-dimethyl-4H-oxazine?
The canonical SMILES for 6-(2,3-dimethylbutyl)-3,4-dimethyl-4H-oxazine is CC1=NOC(CC(C)C(C)C)=CC1C.
What is the InChIKey of 6-(2,3-dimethylbutyl)-3,4-dimethyl-4H-oxazine?
The InChIKey is FUQPMVZRVUZLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-8(2)9(3)6-12-7-10(4)11(5)13-14-12/h7-10H,6H2,1-5H3.
What are the key properties of 6-(2,3-dimethylbutyl)-3,4-dimethyl-4H-oxazine?
6-(2,3-dimethylbutyl)-3,4-dimethyl-4H-oxazine has a molecular weight of 195.31 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dimethylbutyl)-3,4-dimethyl-4H-oxazine is sourced from PubChem (CID 146581273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).