(4aS,8aR)-6-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine;molecular hydrogen

C10H22N2O — CID 164555227

IUPAC(4aS,8aR)-6-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine;molecular hydrogen
SMILESCC(C)N1CC[C@H]2OCCN[C@H]2C1.[H][H]
InChIInChI=1S/C10H20N2O.H2/c1-8(2)12-5-3-10-9(7-12)11-4-6-13-10;/h8-11H,3-7H2,1-2H3;1H/t9-,10+;/m0./s1
InChIKeyBKXBYHZZWUEUOD-BAUSSPIASA-N
MW186.30 g/mol
LogP0.70
Rot. Bonds1

About (4aS,8aR)-6-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine;molecular hydrogen

(4aS,8aR)-6-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine;molecular hydrogen (PubChem CID 164555227) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is (4aS,8aR)-6-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine;molecular hydrogen.

Molecular Properties

Compound Name(4aS,8aR)-6-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine;molecular hydrogen
PubChem CID164555227
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name(4aS,8aR)-6-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine;molecular hydrogen
SMILESCC(C)N1CC[C@H]2OCCN[C@H]2C1.[H][H]
InChIInChI=1S/C10H20N2O.H2/c1-8(2)12-5-3-10-9(7-12)11-4-6-13-10;/h8-11H,3-7H2,1-2H3;1H/t9-,10+;/m0./s1
InChIKeyBKXBYHZZWUEUOD-BAUSSPIASA-N
XLogP0.70
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4aS,8aR)-6-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine;molecular hydrogen 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

(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
(5aR)-7-propan-2-yl-2,3,4,5a,6,8,9,9a-octahydro-1H-pyrido[3,4-b][1,4]oxazepine
CID 134168202
6-(2-methylpropyl)-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine;hydrochloride
CID 131160100
(4aS,8aR)-6-butan-2-yl-1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazine
CID 134177948
(3aR)-6-propan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine
CID 166764383
(4aS,8aS)-6-[(2S)-hexan-2-yl]-1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazine
CID 146507365
(4aS,7aS)-6-propan-2-yl-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole
CID 129088215
6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;dihydrochloride
CID 146675358
5-propan-2-yl-3,4,4a,6,7,8,9,9a-octahydro-2H-[1,4]oxazino[3,2-b]azepine
CID 174260679
1-methyl-6-propan-2-yl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[3,4-b][1,4]oxazine
CID 178050349
(4aS,8aS)-6-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine
CID 124833174

Frequently Asked Questions

What is the IUPAC name of (4aS,8aR)-6-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine;molecular hydrogen?
The IUPAC name of (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) is (4aS,8aR)-6-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine;molecular hydrogen.
What is the SMILES notation for (4aS,8aR)-6-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine;molecular hydrogen?
The canonical SMILES for (4aS,8aR)-6-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine;molecular hydrogen is CC(C)N1CC[C@H]2OCCN[C@H]2C1.[H][H].
What is the InChIKey of (4aS,8aR)-6-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine;molecular hydrogen?
The InChIKey is BKXBYHZZWUEUOD-BAUSSPIASA-N. The full InChI is InChI=1S/C10H20N2O.H2/c1-8(2)12-5-3-10-9(7-12)11-4-6-13-10;/h8-11H,3-7H2,1-2H3;1H/t9-,10+;/m0./s1.
What are the key properties of (4aS,8aR)-6-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine;molecular hydrogen?
(4aS,8aR)-6-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine;molecular hydrogen has a molecular weight of 186.30 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8aR)-6-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine;molecular hydrogen is sourced from PubChem (CID 164555227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).