2-cyclopropyl-5,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine

C13H23NO — CID 64751242

IUPAC2-cyclopropyl-5,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine
SMILESCC1CC(C)C2NCC(C3CC3)OC2C1
InChIInChI=1S/C13H23NO/c1-8-5-9(2)13-11(6-8)15-12(7-14-13)10-3-4-10/h8-14H,3-7H2,1-2H3
InChIKeyBKYALBMBLUZVSM-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.19
Rot. Bonds1

About 2-cyclopropyl-5,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine

2-cyclopropyl-5,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine (PubChem CID 64751242) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-cyclopropyl-5,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine.

Molecular Properties

Compound Name2-cyclopropyl-5,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine
PubChem CID64751242
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-cyclopropyl-5,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine
SMILESCC1CC(C)C2NCC(C3CC3)OC2C1
InChIInChI=1S/C13H23NO/c1-8-5-9(2)13-11(6-8)15-12(7-14-13)10-3-4-10/h8-14H,3-7H2,1-2H3
InChIKeyBKYALBMBLUZVSM-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-cyclopropyl-5,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine with MolForge

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Related Compounds

6-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine
CID 43350819
6-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine
CID 62708255
(4aR,8aR)-7-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine
CID 70313372
7-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine
CID 77819041
5-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine
CID 89973774
5-ethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine
CID 117794564
5-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine
CID 134352990
8-Methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-amine
CID 138549226
8-Methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 140446548
1,2,3,4,4a,5,6,7,8,8a-Decahydroquinolin-8-yl(dimethyl)oxidanium
CID 145818331
7-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine
CID 155207527
7-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine
CID 155470193

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine?
The IUPAC name of 2-cyclopropyl-5,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine (CID 64751242) is 2-cyclopropyl-5,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine.
What is the SMILES notation for 2-cyclopropyl-5,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine?
The canonical SMILES for 2-cyclopropyl-5,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine is CC1CC(C)C2NCC(C3CC3)OC2C1.
What is the InChIKey of 2-cyclopropyl-5,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine?
The InChIKey is BKYALBMBLUZVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-8-5-9(2)13-11(6-8)15-12(7-14-13)10-3-4-10/h8-14H,3-7H2,1-2H3.
What are the key properties of 2-cyclopropyl-5,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine?
2-cyclopropyl-5,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine has a molecular weight of 209.33 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine is sourced from PubChem (CID 64751242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).