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

C16H31N3O — CID 82750801

IUPAC6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methyl-2-(methylamino)hexanamide
SMILESCNC(C)(CCCCN1CCC2CCCCC21)C(N)=O
InChIInChI=1S/C16H31N3O/c1-16(18-2,15(17)20)10-5-6-11-19-12-9-13-7-3-4-8-14(13)19/h13-14,18H,3-12H2,1-2H3,(H2,17,20)
InChIKeyUSWMIIKRBOXKTF-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.88
Rot. Bonds7

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

6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methyl-2-(methylamino)hexanamide (PubChem CID 82750801) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methyl-2-(methylamino)hexanamide.

Molecular Properties

Compound Name6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methyl-2-(methylamino)hexanamide
PubChem CID82750801
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methyl-2-(methylamino)hexanamide
SMILESCNC(C)(CCCCN1CCC2CCCCC21)C(N)=O
InChIInChI=1S/C16H31N3O/c1-16(18-2,15(17)20)10-5-6-11-19-12-9-13-7-3-4-8-14(13)19/h13-14,18H,3-12H2,1-2H3,(H2,17,20)
InChIKeyUSWMIIKRBOXKTF-UHFFFAOYSA-N
XLogP1.88
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methyl-2-(methylamino)pentanoate
CID 82752209
5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-amino-2-methylpentanamide
CID 82752654
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methyl-2-(propylamino)butanamide
CID 102728063
6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3,3-dimethylhexan-1-amine
CID 82750419
5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-amino-2-methylpentanamide
CID 65324919
6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2,2-dimethylhexanimidamide
CID 106712234
2-methyl-5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(methylamino)pentanamide
CID 79945366
2-amino-6-(2-cyclopentylpyrrolidin-1-yl)-2-methylhexan-1-ol
CID 64826534
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
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methyl-2-(methylamino)pentanamide
CID 102727993
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-ethyl-2-(methylamino)pentanoic acid
CID 106805876

Frequently Asked Questions

What is the IUPAC name of 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methyl-2-(methylamino)hexanamide?
The IUPAC name of 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methyl-2-(methylamino)hexanamide (CID 82750801) is 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methyl-2-(methylamino)hexanamide.
What is the SMILES notation for 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methyl-2-(methylamino)hexanamide?
The canonical SMILES for 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methyl-2-(methylamino)hexanamide is CNC(C)(CCCCN1CCC2CCCCC21)C(N)=O.
What is the InChIKey of 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methyl-2-(methylamino)hexanamide?
The InChIKey is USWMIIKRBOXKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-16(18-2,15(17)20)10-5-6-11-19-12-9-13-7-3-4-8-14(13)19/h13-14,18H,3-12H2,1-2H3,(H2,17,20).
What are the key properties of 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methyl-2-(methylamino)hexanamide?
6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methyl-2-(methylamino)hexanamide has a molecular weight of 281.44 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methyl-2-(methylamino)hexanamide is sourced from PubChem (CID 82750801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).