6-(2-methylpropyl)-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine;hydrochloride

C11H23ClN2O — CID 131160100

IUPAC6-(2-methylpropyl)-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine;hydrochloride
SMILESCC(C)CN1CCC2OCCNC2C1.Cl
InChIInChI=1S/C11H22N2O.ClH/c1-9(2)7-13-5-3-11-10(8-13)12-4-6-14-11;/h9-12H,3-8H2,1-2H3;1H
InChIKeyCWJKEBFWYOLWQW-UHFFFAOYSA-N
MW234.77 g/mol
LogP1.13
Rot. Bonds2

About 6-(2-methylpropyl)-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine;hydrochloride

6-(2-methylpropyl)-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine;hydrochloride (PubChem CID 131160100) has the molecular formula C11H23ClN2O and a molecular weight of 234.77 g/mol. Its IUPAC name is 6-(2-methylpropyl)-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine;hydrochloride.

Molecular Properties

Compound Name6-(2-methylpropyl)-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine;hydrochloride
PubChem CID131160100
Molecular FormulaC11H23ClN2O
Molecular Weight234.77 g/mol
Exact Mass234.15
IUPAC Name6-(2-methylpropyl)-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine;hydrochloride
SMILESCC(C)CN1CCC2OCCNC2C1.Cl
InChIInChI=1S/C11H22N2O.ClH/c1-9(2)7-13-5-3-11-10(8-13)12-4-6-14-11;/h9-12H,3-8H2,1-2H3;1H
InChIKeyCWJKEBFWYOLWQW-UHFFFAOYSA-N
XLogP1.13
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.77
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(2-methylpropyl)-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine;hydrochloride 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

(4aS,8aR)-6-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine;molecular hydrogen
CID 164555227
6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;dihydrochloride
CID 146675358
ethane;6-ethyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine
CID 144987600
(4aR,8aR)-6-propan-2-yl-1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazine
CID 134168248
ethane;6-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine
CID 177206108
(4aS,8aR)-6-butan-2-yl-1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazine
CID 134177948
(4aS,9aS)-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b][1,4]oxazine
CID 92720099
(4aS,8aS)-6-[(2S)-hexan-2-yl]-1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazine
CID 146507365
3-cyclopropyl-1-(2,4-dimethylpentyl)-1,4-diazepane
CID 114201405
5-propan-2-yl-3,4,4a,6,7,8,9,9a-octahydro-2H-[1,4]oxazino[3,2-b]azepine
CID 174260679
butyl 2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine-6-carboxylate
CID 118142587
3-chloro-1-(2-methylpropyl)pyrrolidine
CID 19819767

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropyl)-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine;hydrochloride?
The IUPAC name of 6-(2-methylpropyl)-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine;hydrochloride (CID 131160100) is 6-(2-methylpropyl)-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine;hydrochloride.
What is the SMILES notation for 6-(2-methylpropyl)-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine;hydrochloride?
The canonical SMILES for 6-(2-methylpropyl)-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine;hydrochloride is CC(C)CN1CCC2OCCNC2C1.Cl.
What is the InChIKey of 6-(2-methylpropyl)-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine;hydrochloride?
The InChIKey is CWJKEBFWYOLWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O.ClH/c1-9(2)7-13-5-3-11-10(8-13)12-4-6-14-11;/h9-12H,3-8H2,1-2H3;1H.
What are the key properties of 6-(2-methylpropyl)-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine;hydrochloride?
6-(2-methylpropyl)-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine;hydrochloride has a molecular weight of 234.77 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine;hydrochloride is sourced from PubChem (CID 131160100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).