7-tert-butyl-7-methyl-3,4-dihydro-2H-cyclohepta[e][1,3]oxazine

C14H21NO — CID 138480604

IUPAC7-tert-butyl-7-methyl-3,4-dihydro-2H-cyclohepta[e][1,3]oxazine
SMILESCC(C)(C)C1(C)C=CC2=C(C=C1)OCNC2
InChIInChI=1S/C14H21NO/c1-13(2,3)14(4)7-5-11-9-15-10-16-12(11)6-8-14/h5-8,15H,9-10H2,1-4H3
InChIKeyCOAJYMZUDBJRFY-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.00
Rot. Bonds

About 7-tert-butyl-7-methyl-3,4-dihydro-2H-cyclohepta[e][1,3]oxazine

7-tert-butyl-7-methyl-3,4-dihydro-2H-cyclohepta[e][1,3]oxazine (PubChem CID 138480604) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 7-tert-butyl-7-methyl-3,4-dihydro-2H-cyclohepta[e][1,3]oxazine.

Molecular Properties

Compound Name7-tert-butyl-7-methyl-3,4-dihydro-2H-cyclohepta[e][1,3]oxazine
PubChem CID138480604
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name7-tert-butyl-7-methyl-3,4-dihydro-2H-cyclohepta[e][1,3]oxazine
SMILESCC(C)(C)C1(C)C=CC2=C(C=C1)OCNC2
InChIInChI=1S/C14H21NO/c1-13(2,3)14(4)7-5-11-9-15-10-16-12(11)6-8-14/h5-8,15H,9-10H2,1-4H3
InChIKeyCOAJYMZUDBJRFY-UHFFFAOYSA-N
XLogP3.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N-methylmethanamine
CID 68046425
5,6-bis[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,3-oxazine
CID 134220357
ethane;2-methylidene-4,7-dihydro-3H-cyclohepta[e][1,3]oxazine
CID 142074060
ethane;1-(5-methoxycyclohepta-1,4,6-trien-1-yl)-N-methylmethanamine
CID 142253242
8,8-dimethyl-3,4-dihydro-2H-cyclohepta[e][1,3]oxazine;ethane
CID 143686063
8,8-dimethyl-3,4-dihydro-2H-cyclohepta[e][1,3]oxazine
CID 143686064
6-[(Z)-but-1-enyl]-5-ethenyl-3,4-dihydro-2H-1,3-oxazine
CID 143811812
5,6-bis[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,3-oxazine;ethane;2-methylpropane
CID 145326230
5,6-bis[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,3-oxazine;propane
CID 145326246
(6E)-5-methylidene-6-[(E)-3,4,4-trimethylpent-2-enylidene]-1,3-oxazinane
CID 155067853
7-Tert-butyl-3,7-dimethyl-2,4-dihydrocyclohepta[e][1,3]oxazine
CID 167279727
7,7-dimethyl-3,4-dihydro-2H-cyclohepta[e][1,3]oxazine
CID 170121617

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-7-methyl-3,4-dihydro-2H-cyclohepta[e][1,3]oxazine?
The IUPAC name of 7-tert-butyl-7-methyl-3,4-dihydro-2H-cyclohepta[e][1,3]oxazine (CID 138480604) is 7-tert-butyl-7-methyl-3,4-dihydro-2H-cyclohepta[e][1,3]oxazine.
What is the SMILES notation for 7-tert-butyl-7-methyl-3,4-dihydro-2H-cyclohepta[e][1,3]oxazine?
The canonical SMILES for 7-tert-butyl-7-methyl-3,4-dihydro-2H-cyclohepta[e][1,3]oxazine is CC(C)(C)C1(C)C=CC2=C(C=C1)OCNC2.
What is the InChIKey of 7-tert-butyl-7-methyl-3,4-dihydro-2H-cyclohepta[e][1,3]oxazine?
The InChIKey is COAJYMZUDBJRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-13(2,3)14(4)7-5-11-9-15-10-16-12(11)6-8-14/h5-8,15H,9-10H2,1-4H3.
What are the key properties of 7-tert-butyl-7-methyl-3,4-dihydro-2H-cyclohepta[e][1,3]oxazine?
7-tert-butyl-7-methyl-3,4-dihydro-2H-cyclohepta[e][1,3]oxazine has a molecular weight of 219.33 g/mol, XLogP of 3.00, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-7-methyl-3,4-dihydro-2H-cyclohepta[e][1,3]oxazine is sourced from PubChem (CID 138480604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).