2-(2,3-dihydro-1H-inden-1-yl)-N,N,2-trimethylpentan-1-amine;ethane;methoxymethane

C23H45NO — CID 178102720

IUPAC2-(2,3-dihydro-1H-inden-1-yl)-N,N,2-trimethylpentan-1-amine;ethane;methoxymethane
SMILESCC.CC.CCCC(C)(CN(C)C)C1CCc2ccccc21.COC
InChIInChI=1S/C17H27N.C2H6O.2C2H6/c1-5-12-17(2,13-18(3)4)16-11-10-14-8-6-7-9-15(14)16;1-3-2;2*1-2/h6-9,16H,5,10-13H2,1-4H3;1-2H3;2*1-2H3
InChIKeyGYFPPKDOZBBKCU-UHFFFAOYSA-N
MW351.62 g/mol
LogP6.40
Rot. Bonds5

About 2-(2,3-dihydro-1H-inden-1-yl)-N,N,2-trimethylpentan-1-amine;ethane;methoxymethane

2-(2,3-dihydro-1H-inden-1-yl)-N,N,2-trimethylpentan-1-amine;ethane;methoxymethane (PubChem CID 178102720) has the molecular formula C23H45NO and a molecular weight of 351.62 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-1-yl)-N,N,2-trimethylpentan-1-amine;ethane;methoxymethane.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-1-yl)-N,N,2-trimethylpentan-1-amine;ethane;methoxymethane
PubChem CID178102720
Molecular FormulaC23H45NO
Molecular Weight351.62 g/mol
Exact Mass351.35
IUPAC Name2-(2,3-dihydro-1H-inden-1-yl)-N,N,2-trimethylpentan-1-amine;ethane;methoxymethane
SMILESCC.CC.CCCC(C)(CN(C)C)C1CCc2ccccc21.COC
InChIInChI=1S/C17H27N.C2H6O.2C2H6/c1-5-12-17(2,13-18(3)4)16-11-10-14-8-6-7-9-15(14)16;1-3-2;2*1-2/h6-9,16H,5,10-13H2,1-4H3;1-2H3;2*1-2H3
InChIKeyGYFPPKDOZBBKCU-UHFFFAOYSA-N
XLogP6.40
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.62
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2,3-dihydro-1H-inden-1-yl)-N,N,2-trimethylpentan-1-amine;ethane;methoxymethane with MolForge

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Related Compounds

1'-Hexylspiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride
CID 19018943
1-(3-Indan-1-yl-propyl)-3,3-dimethyl-piperidine
CID 10638473
1-[4-(2,3-dihydro-1H-inden-1-yl)butyl]-3,3-dimethylpiperidine
CID 11778704
1'-(3-Methylbut-2-enyl)spiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride
CID 54580004
1'-Butylspiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride
CID 54580841
1'-(Cyclohexylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride
CID 54582815
N-(2-cycloheptylethyl)-N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]butan-1-amine
CID 168297404
3,4-dihydro-1'-(3-methylbut-2-enyl)spiro(1H-indene-1,4'-piperidine)
CID 126260
2-(2,3-dihydro-1H-inden-1-yl)-N,N-dimethylethanamine
CID 44375004
Indriline
CID 23878
1-Indanpropylamine, 1-phenyl-N,N,3-trimethyl-, hydrochloride
CID 114397
N,N-Dimethyl-2-(3-methyl-1-phenyl-2,3-dihydro-1H-inden-1-yl)ethan-1-amine--hydrogen chloride (1/1)
CID 114401

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-1-yl)-N,N,2-trimethylpentan-1-amine;ethane;methoxymethane?
The IUPAC name of 2-(2,3-dihydro-1H-inden-1-yl)-N,N,2-trimethylpentan-1-amine;ethane;methoxymethane (CID 178102720) is 2-(2,3-dihydro-1H-inden-1-yl)-N,N,2-trimethylpentan-1-amine;ethane;methoxymethane.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-1-yl)-N,N,2-trimethylpentan-1-amine;ethane;methoxymethane?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-1-yl)-N,N,2-trimethylpentan-1-amine;ethane;methoxymethane is CC.CC.CCCC(C)(CN(C)C)C1CCc2ccccc21.COC.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-1-yl)-N,N,2-trimethylpentan-1-amine;ethane;methoxymethane?
The InChIKey is GYFPPKDOZBBKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N.C2H6O.2C2H6/c1-5-12-17(2,13-18(3)4)16-11-10-14-8-6-7-9-15(14)16;1-3-2;2*1-2/h6-9,16H,5,10-13H2,1-4H3;1-2H3;2*1-2H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-1-yl)-N,N,2-trimethylpentan-1-amine;ethane;methoxymethane?
2-(2,3-dihydro-1H-inden-1-yl)-N,N,2-trimethylpentan-1-amine;ethane;methoxymethane has a molecular weight of 351.62 g/mol, XLogP of 6.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-1-yl)-N,N,2-trimethylpentan-1-amine;ethane;methoxymethane is sourced from PubChem (CID 178102720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).