2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;8-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine

C22H42N2O — CID 177200608

IUPAC2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;8-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
SMILESCC(C)C1CCC2CCCCC2N1.CC(C)C1CCN2CCOCC12
InChIInChI=1S/C12H23N.C10H19NO/c1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-8(2)9-3-4-11-5-6-12-7-10(9)11/h9-13H,3-8H2,1-2H3;8-10H,3-7H2,1-2H3
InChIKeyLZDYABHJNJLATE-UHFFFAOYSA-N
MW350.59 g/mol
LogP4.32
Rot. Bonds2

About 2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;8-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine

2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;8-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine (PubChem CID 177200608) has the molecular formula C22H42N2O and a molecular weight of 350.59 g/mol. Its IUPAC name is 2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;8-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine.

Molecular Properties

Compound Name2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;8-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
PubChem CID177200608
Molecular FormulaC22H42N2O
Molecular Weight350.59 g/mol
Exact Mass350.33
IUPAC Name2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;8-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
SMILESCC(C)C1CCC2CCCCC2N1.CC(C)C1CCN2CCOCC12
InChIInChI=1S/C12H23N.C10H19NO/c1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-8(2)9-3-4-11-5-6-12-7-10(9)11/h9-13H,3-8H2,1-2H3;8-10H,3-7H2,1-2H3
InChIKeyLZDYABHJNJLATE-UHFFFAOYSA-N
XLogP4.32
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.59
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;8-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;8-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine?
The IUPAC name of 2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;8-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine (CID 177200608) is 2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;8-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine.
What is the SMILES notation for 2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;8-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine?
The canonical SMILES for 2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;8-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine is CC(C)C1CCC2CCCCC2N1.CC(C)C1CCN2CCOCC12.
What is the InChIKey of 2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;8-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine?
The InChIKey is LZDYABHJNJLATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N.C10H19NO/c1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-8(2)9-3-4-11-5-6-12-7-10(9)11/h9-13H,3-8H2,1-2H3;8-10H,3-7H2,1-2H3.
What are the key properties of 2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;8-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine?
2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;8-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine has a molecular weight of 350.59 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;8-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine is sourced from PubChem (CID 177200608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).