3-(methoxymethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole

C10H19NO — CID 170906267

IUPAC3-(methoxymethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
SMILESCOCC1CNC2CCCCC12
InChIInChI=1S/C10H19NO/c1-12-7-8-6-11-10-5-3-2-4-9(8)10/h8-11H,2-7H2,1H3
InChIKeyAAXFMSARVWQVJL-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.41
Rot. Bonds2

About 3-(methoxymethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole

3-(methoxymethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole (PubChem CID 170906267) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-(methoxymethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole.

Molecular Properties

Compound Name3-(methoxymethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
PubChem CID170906267
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-(methoxymethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
SMILESCOCC1CNC2CCCCC12
InChIInChI=1S/C10H19NO/c1-12-7-8-6-11-10-5-3-2-4-9(8)10/h8-11H,2-7H2,1H3
InChIKeyAAXFMSARVWQVJL-UHFFFAOYSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)ethanol
CID 89010127
2-[(3S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl]ethanol
CID 129412678
(3S,3aR,7aS)-3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
CID 55287432
(3S,3aS,7aS)-3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
CID 92844990
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-3-carboxamide
CID 170906485
3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)propyl-dimethoxy-phenylsilane
CID 59630499
cis-(1S,2R)-1-methoxy-2-(methoxymethyl)cyclohexane
CID 164821993
(2S)-2-(methoxymethyl)cyclohexan-1-amine
CID 89098977
1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3,4-diamine
CID 163165908
3-(methoxymethyl)-2-propan-2-ylazetidine
CID 105428526
(2S,3R,4R)-3-(2-methoxyethyl)-2,4-bis(methoxymethyl)pyrrolidine
CID 15330691
6-(methoxymethyl)bicyclo[3.1.0]hexane
CID 147202482

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole?
The IUPAC name of 3-(methoxymethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole (CID 170906267) is 3-(methoxymethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole.
What is the SMILES notation for 3-(methoxymethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole?
The canonical SMILES for 3-(methoxymethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole is COCC1CNC2CCCCC12.
What is the InChIKey of 3-(methoxymethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole?
The InChIKey is AAXFMSARVWQVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-12-7-8-6-11-10-5-3-2-4-9(8)10/h8-11H,2-7H2,1H3.
What are the key properties of 3-(methoxymethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole?
3-(methoxymethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole has a molecular weight of 169.27 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole is sourced from PubChem (CID 170906267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).