4-(2,2-dimethylpropyl)-2,3-dihydrocyclohepta[b][1,4]oxazine

C14H19NO — CID 91459018

IUPAC4-(2,2-dimethylpropyl)-2,3-dihydrocyclohepta[b][1,4]oxazine
SMILESCC(C)(C)CN1CCOC2=C1C=C=CC=C2
InChIInChI=1S/C14H19NO/c1-14(2,3)11-15-9-10-16-13-8-6-4-5-7-12(13)15/h4,6-8H,9-11H2,1-3H3
InChIKeyJWDFQSKVRSNGLU-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.86
Rot. Bonds1

About 4-(2,2-dimethylpropyl)-2,3-dihydrocyclohepta[b][1,4]oxazine

4-(2,2-dimethylpropyl)-2,3-dihydrocyclohepta[b][1,4]oxazine (PubChem CID 91459018) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-2,3-dihydrocyclohepta[b][1,4]oxazine.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-2,3-dihydrocyclohepta[b][1,4]oxazine
PubChem CID91459018
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name4-(2,2-dimethylpropyl)-2,3-dihydrocyclohepta[b][1,4]oxazine
SMILESCC(C)(C)CN1CCOC2=C1C=C=CC=C2
InChIInChI=1S/C14H19NO/c1-14(2,3)11-15-9-10-16-13-8-6-4-5-7-12(13)15/h4,6-8H,9-11H2,1-3H3
InChIKeyJWDFQSKVRSNGLU-UHFFFAOYSA-N
XLogP2.86
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(2,2-dimethylpropyl)-2,3-dihydrocyclohepta[b][1,4]oxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Dimethylamino-3-isopropyl(3-dimethylamino)-2h-pyran
CID 129789428
4,5-Dimethyl-6-(2-methylprop-1-enyl)-2,3-dihydro-1,4-oxazine
CID 123257206
3-But-2-enylidene-4-methyl-2-(3-methylbut-2-enylidene)morpholine
CID 123995320
4,7,7-Trimethyl-2,3-dihydrocyclohepta[b][1,4]oxazine
CID 142096969
ethane;5-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-oxazine
CID 142241416
5,6-Bis(ethenyl)-4-methyl-2,3-dihydro-1,4-oxazine;ethane
CID 143157636
5,6-Bis(ethenyl)-4-methyl-2,3-dihydro-1,4-oxazine
CID 143157637
4,5-dimethyl-6-[(1Z)-2-methylbuta-1,3-dienyl]-2,3-dihydro-1,4-oxazine
CID 143420173
5,6-bis(ethenyl)-2,2,4-trimethyl-3H-1,4-oxazine
CID 143759819
5,6-Bis(ethenyl)-4-propan-2-yl-2,3-dihydro-1,4-oxazine
CID 144112890
5,6-Bis(ethenyl)-4-ethyl-2,3-dihydro-1,4-oxazine;ethane
CID 144557215
5,6-Bis(ethenyl)-4-ethyl-2,3-dihydro-1,4-oxazine
CID 144557216

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-2,3-dihydrocyclohepta[b][1,4]oxazine?
The IUPAC name of 4-(2,2-dimethylpropyl)-2,3-dihydrocyclohepta[b][1,4]oxazine (CID 91459018) is 4-(2,2-dimethylpropyl)-2,3-dihydrocyclohepta[b][1,4]oxazine.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-2,3-dihydrocyclohepta[b][1,4]oxazine?
The canonical SMILES for 4-(2,2-dimethylpropyl)-2,3-dihydrocyclohepta[b][1,4]oxazine is CC(C)(C)CN1CCOC2=C1C=C=CC=C2.
What is the InChIKey of 4-(2,2-dimethylpropyl)-2,3-dihydrocyclohepta[b][1,4]oxazine?
The InChIKey is JWDFQSKVRSNGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-14(2,3)11-15-9-10-16-13-8-6-4-5-7-12(13)15/h4,6-8H,9-11H2,1-3H3.
What are the key properties of 4-(2,2-dimethylpropyl)-2,3-dihydrocyclohepta[b][1,4]oxazine?
4-(2,2-dimethylpropyl)-2,3-dihydrocyclohepta[b][1,4]oxazine has a molecular weight of 217.31 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-2,3-dihydrocyclohepta[b][1,4]oxazine is sourced from PubChem (CID 91459018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).