methyl 5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methyl-2-(methylamino)pentanoate

C16H30N2O2 — CID 82752209

IUPACmethyl 5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methyl-2-(methylamino)pentanoate
SMILESCNC(C)(CCCN1CCC2CCCCC21)C(=O)OC
InChIInChI=1S/C16H30N2O2/c1-16(17-2,15(19)20-3)10-6-11-18-12-9-13-7-4-5-8-14(13)18/h13-14,17H,4-12H2,1-3H3
InChIKeyRYKKAOGIADVXEV-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.18
Rot. Bonds6

About methyl 5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methyl-2-(methylamino)pentanoate

methyl 5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methyl-2-(methylamino)pentanoate (PubChem CID 82752209) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is methyl 5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methyl-2-(methylamino)pentanoate.

Molecular Properties

Compound Namemethyl 5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methyl-2-(methylamino)pentanoate
PubChem CID82752209
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Namemethyl 5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methyl-2-(methylamino)pentanoate
SMILESCNC(C)(CCCN1CCC2CCCCC21)C(=O)OC
InChIInChI=1S/C16H30N2O2/c1-16(17-2,15(19)20-3)10-6-11-18-12-9-13-7-4-5-8-14(13)18/h13-14,17H,4-12H2,1-3H3
InChIKeyRYKKAOGIADVXEV-UHFFFAOYSA-N
XLogP2.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methyl-2-(methylamino)pentanoate with MolForge

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Related Compounds

6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methyl-2-(methylamino)hexanamide
CID 82750801
methyl 5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-amino-2-methylpentanoate
CID 102728042
methyl 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)butanoate
CID 78967455
5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-amino-2-methylpentanamide
CID 82752654
6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3,3-dimethylhexan-1-amine
CID 82750419
methyl 4-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate
CID 55062051
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-ethyl-2-(methylamino)pentanoic acid
CID 106805876
methyl 5-(2,3-dimethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoate
CID 62123088
methyl 2-(cyclopropylamino)-5-(2,4-dimethylpiperidin-1-yl)-2-methylpentanoate
CID 62330730
methyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanoate
CID 64583750
5-(2-cyclopentylpyrrolidin-1-yl)-2-ethyl-2-(methylamino)pentan-1-ol
CID 106809445
methyl 2-methyl-2-(methylamino)-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanoate
CID 79163896

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methyl-2-(methylamino)pentanoate?
The IUPAC name of methyl 5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methyl-2-(methylamino)pentanoate (CID 82752209) is methyl 5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methyl-2-(methylamino)pentanoate.
What is the SMILES notation for methyl 5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methyl-2-(methylamino)pentanoate?
The canonical SMILES for methyl 5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methyl-2-(methylamino)pentanoate is CNC(C)(CCCN1CCC2CCCCC21)C(=O)OC.
What is the InChIKey of methyl 5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methyl-2-(methylamino)pentanoate?
The InChIKey is RYKKAOGIADVXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-16(17-2,15(19)20-3)10-6-11-18-12-9-13-7-4-5-8-14(13)18/h13-14,17H,4-12H2,1-3H3.
What are the key properties of methyl 5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methyl-2-(methylamino)pentanoate?
methyl 5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methyl-2-(methylamino)pentanoate has a molecular weight of 282.43 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methyl-2-(methylamino)pentanoate is sourced from PubChem (CID 82752209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).