6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methyl-2-(methylamino)hexanamide

C15H32N4O — CID 81474697

IUPAC6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methyl-2-(methylamino)hexanamide
SMILESCNC(C)(CCCCN1CC(C)C(N(C)C)C1)C(N)=O
InChIInChI=1S/C15H32N4O/c1-12-10-19(11-13(12)18(4)5)9-7-6-8-15(2,17-3)14(16)20/h12-13,17H,6-11H2,1-5H3,(H2,16,20)
InChIKeyWCBFWHZUNPAXBR-UHFFFAOYSA-N
MW284.45 g/mol
LogP0.50
Rot. Bonds8

About 6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methyl-2-(methylamino)hexanamide

6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methyl-2-(methylamino)hexanamide (PubChem CID 81474697) has the molecular formula C15H32N4O and a molecular weight of 284.45 g/mol. Its IUPAC name is 6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methyl-2-(methylamino)hexanamide.

Molecular Properties

Compound Name6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methyl-2-(methylamino)hexanamide
PubChem CID81474697
Molecular FormulaC15H32N4O
Molecular Weight284.45 g/mol
Exact Mass284.26
IUPAC Name6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methyl-2-(methylamino)hexanamide
SMILESCNC(C)(CCCCN1CC(C)C(N(C)C)C1)C(N)=O
InChIInChI=1S/C15H32N4O/c1-12-10-19(11-13(12)18(4)5)9-7-6-8-15(2,17-3)14(16)20/h12-13,17H,6-11H2,1-5H3,(H2,16,20)
InChIKeyWCBFWHZUNPAXBR-UHFFFAOYSA-N
XLogP0.50
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-amino-5-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpentanoate
CID 81474926
methyl 4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methyl-2-(propan-2-ylamino)butanoate
CID 81463972
4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]butan-1-ol
CID 114287080
2-methyl-2-(methylamino)-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexanamide
CID 79163911
5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methyl-2-(methylamino)pentanamide
CID 62890058
3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]propanethioamide
CID 81464002
9-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]nonane-1-thiol
CID 105344263
2-methyl-2-(methylamino)-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanamide
CID 79175376
3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-hydroxy-2-methylpropanoic acid
CID 81474873
5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanamide
CID 64583347
2-methyl-2-(methylamino)heptanamide
CID 80557436
6-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(methylamino)hexanamide
CID 64836259

Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methyl-2-(methylamino)hexanamide?
The IUPAC name of 6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methyl-2-(methylamino)hexanamide (CID 81474697) is 6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methyl-2-(methylamino)hexanamide.
What is the SMILES notation for 6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methyl-2-(methylamino)hexanamide?
The canonical SMILES for 6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methyl-2-(methylamino)hexanamide is CNC(C)(CCCCN1CC(C)C(N(C)C)C1)C(N)=O.
What is the InChIKey of 6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methyl-2-(methylamino)hexanamide?
The InChIKey is WCBFWHZUNPAXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4O/c1-12-10-19(11-13(12)18(4)5)9-7-6-8-15(2,17-3)14(16)20/h12-13,17H,6-11H2,1-5H3,(H2,16,20).
What are the key properties of 6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methyl-2-(methylamino)hexanamide?
6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methyl-2-(methylamino)hexanamide has a molecular weight of 284.45 g/mol, XLogP of 0.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methyl-2-(methylamino)hexanamide is sourced from PubChem (CID 81474697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).