1-methyl-2-(propan-2-yloxymethyl)-2,3,3a,4,5,6,7,7a-octahydroindole

C13H25NO — CID 177126090

IUPAC1-methyl-2-(propan-2-yloxymethyl)-2,3,3a,4,5,6,7,7a-octahydroindole
SMILESCC(C)OCC1CC2CCCCC2N1C
InChIInChI=1S/C13H25NO/c1-10(2)15-9-12-8-11-6-4-5-7-13(11)14(12)3/h10-13H,4-9H2,1-3H3
InChIKeyINCWVWNOCWIDLT-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.67
Rot. Bonds3

About 1-methyl-2-(propan-2-yloxymethyl)-2,3,3a,4,5,6,7,7a-octahydroindole

1-methyl-2-(propan-2-yloxymethyl)-2,3,3a,4,5,6,7,7a-octahydroindole (PubChem CID 177126090) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-methyl-2-(propan-2-yloxymethyl)-2,3,3a,4,5,6,7,7a-octahydroindole.

Molecular Properties

Compound Name1-methyl-2-(propan-2-yloxymethyl)-2,3,3a,4,5,6,7,7a-octahydroindole
PubChem CID177126090
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-methyl-2-(propan-2-yloxymethyl)-2,3,3a,4,5,6,7,7a-octahydroindole
SMILESCC(C)OCC1CC2CCCCC2N1C
InChIInChI=1S/C13H25NO/c1-10(2)15-9-12-8-11-6-4-5-7-13(11)14(12)3/h10-13H,4-9H2,1-3H3
InChIKeyINCWVWNOCWIDLT-UHFFFAOYSA-N
XLogP2.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methyl-2-(propan-2-yloxymethyl)-2,3,3a,4,5,6,7,7a-octahydroindole with MolForge

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Related Compounds

(3aS,6S,7aS)-6-methoxy-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 118709199
(3aS,6S,7aS)-6-ethoxy-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 118709202
(3aS,6S,7aS)-6-(2-methoxyethoxy)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 118709204
Rzkymajctoizkd-lpehrkfasa-
CID 11457897
(3aS,4aS,9aS)-2,3,3a,4,4a,5,6,7,9,9a-decahydrofuro[2,3-f]indolizine
CID 12127501
2-(Methoxymethyl)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 22981541
(3aS,7aS)-2-(methoxymethyl)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 53760291
(3aS)-2-(methoxymethyl)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 53760292
(2S,4R)-2-(1-methoxyethyl)-1-methyl-4-propylpyrrolidine
CID 54016731
6-Methoxy-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 57672086
7-Methoxy-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 57672089
5-Methoxy-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 57672094

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(propan-2-yloxymethyl)-2,3,3a,4,5,6,7,7a-octahydroindole?
The IUPAC name of 1-methyl-2-(propan-2-yloxymethyl)-2,3,3a,4,5,6,7,7a-octahydroindole (CID 177126090) is 1-methyl-2-(propan-2-yloxymethyl)-2,3,3a,4,5,6,7,7a-octahydroindole.
What is the SMILES notation for 1-methyl-2-(propan-2-yloxymethyl)-2,3,3a,4,5,6,7,7a-octahydroindole?
The canonical SMILES for 1-methyl-2-(propan-2-yloxymethyl)-2,3,3a,4,5,6,7,7a-octahydroindole is CC(C)OCC1CC2CCCCC2N1C.
What is the InChIKey of 1-methyl-2-(propan-2-yloxymethyl)-2,3,3a,4,5,6,7,7a-octahydroindole?
The InChIKey is INCWVWNOCWIDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-10(2)15-9-12-8-11-6-4-5-7-13(11)14(12)3/h10-13H,4-9H2,1-3H3.
What are the key properties of 1-methyl-2-(propan-2-yloxymethyl)-2,3,3a,4,5,6,7,7a-octahydroindole?
1-methyl-2-(propan-2-yloxymethyl)-2,3,3a,4,5,6,7,7a-octahydroindole has a molecular weight of 211.35 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(propan-2-yloxymethyl)-2,3,3a,4,5,6,7,7a-octahydroindole is sourced from PubChem (CID 177126090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).