N-(3,3-dimethylbutyl)-4-(methylamino)butanamide

C11H24N2O — CID 115738133

IUPACN-(3,3-dimethylbutyl)-4-(methylamino)butanamide
SMILESCNCCCC(=O)NCCC(C)(C)C
InChIInChI=1S/C11H24N2O/c1-11(2,3)7-9-13-10(14)6-5-8-12-4/h12H,5-9H2,1-4H3,(H,13,14)
InChIKeyIFSLIXGDHGNPGF-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.54
Rot. Bonds6

About N-(3,3-dimethylbutyl)-4-(methylamino)butanamide

N-(3,3-dimethylbutyl)-4-(methylamino)butanamide (PubChem CID 115738133) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-4-(methylamino)butanamide
PubChem CID115738133
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC NameN-(3,3-dimethylbutyl)-4-(methylamino)butanamide
SMILESCNCCCC(=O)NCCC(C)(C)C
InChIInChI=1S/C11H24N2O/c1-11(2,3)7-9-13-10(14)6-5-8-12-4/h12H,5-9H2,1-4H3,(H,13,14)
InChIKeyIFSLIXGDHGNPGF-UHFFFAOYSA-N
XLogP1.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3,3-dimethylbutyl)butanamide
CID 115580246
N-(3,3-dimethylbutyl)-3-[2-(methylamino)ethylsulfinyl]propanamide
CID 146579682
N-(2-hydroxy-2-methylpropyl)-4-(methylamino)butanamide
CID 65107193
N-(5,5-dimethylhexyl)-6,6-dimethylheptanamide
CID 155613162
N-[2-(dimethylamino)ethyl]-4-(methylamino)butanamide
CID 60841312
N-(2-methoxyethyl)-4-(methylamino)butanamide
CID 60841118
3-cyano-N-(3,3-dimethylbutyl)propanamide
CID 115173922
4-(methylamino)-N-(2-methyl-2-methylsulfanylpropyl)butanamide
CID 115739817
N-(3-cyclopropylpropyl)-4-(methylamino)butanamide
CID 115740529
N-(3,3-dimethylbutyl)-11,11-dimethyl-4-oxododecanamide
CID 165080443
N'-(7,7-dimethyloctyl)-N-methyldecanediamide
CID 167085333
N-(3,3-dimethylbutyl)-2-hydroxyacetamide
CID 115140033

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-4-(methylamino)butanamide?
The IUPAC name of N-(3,3-dimethylbutyl)-4-(methylamino)butanamide (CID 115738133) is N-(3,3-dimethylbutyl)-4-(methylamino)butanamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)-4-(methylamino)butanamide?
The canonical SMILES for N-(3,3-dimethylbutyl)-4-(methylamino)butanamide is CNCCCC(=O)NCCC(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutyl)-4-(methylamino)butanamide?
The InChIKey is IFSLIXGDHGNPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-11(2,3)7-9-13-10(14)6-5-8-12-4/h12H,5-9H2,1-4H3,(H,13,14).
What are the key properties of N-(3,3-dimethylbutyl)-4-(methylamino)butanamide?
N-(3,3-dimethylbutyl)-4-(methylamino)butanamide has a molecular weight of 200.33 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-4-(methylamino)butanamide is sourced from PubChem (CID 115738133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).