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

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Related Compounds

4-methoxy-1-pentyl-3,6-dihydro-2H-pyridine
CID 67726053
4-methyl-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-3,6-dihydro-2H-pyridine
CID 70233571
5-ethyl-1-[(2-methylpropan-2-yl)oxymethyl]-3,6-dihydro-2H-pyridine
CID 123964482
6-Propan-2-yl-3-prop-2-ynyl-2,4-dihydro-1,3-oxazine
CID 141207115
6-Propan-2-yl-3-prop-2-enyl-2,4-dihydro-1,3-oxazine
CID 141207119
1-ethyl-4-methoxy-3,6-dihydro-2H-pyridine
CID 152524993
5-[(1Z)-buta-1,3-dienyl]-6-methyl-3-prop-2-enyl-2,4-dihydro-1,3-oxazine
CID 152805425
5-methoxy-1-propyl-3,6-dihydro-2H-pyridine
CID 173436904
(3,5-Dimethoxy-1-cyclohexa-2,5-dienyl)methyl-diethyl-amine
CID 15421831
6-Tert-butyl-5-propan-2-yl-3-propyl-2,4-dihydro-1,3-oxazine
CID 20773252
1-(2-methoxycyclohexa-1,4-dien-1-yl)-N,N-dimethylmethanamine
CID 45091076
(2Z,5E)-N-butyl-3,6-dimethoxy-N,2-dimethylhepta-2,5-dien-1-amine
CID 143043912

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).