N-(2,2-diethylbutyl)-4-(methylamino)butanamide;hydrochloride

C13H29ClN2O — CID 119822011

IUPACN-(2,2-diethylbutyl)-4-(methylamino)butanamide;hydrochloride
SMILESCCC(CC)(CC)CNC(=O)CCCNC.Cl
InChIInChI=1S/C13H28N2O.ClH/c1-5-13(6-2,7-3)11-15-12(16)9-8-10-14-4;/h14H,5-11H2,1-4H3,(H,15,16);1H
InChIKeyHYRJYCORKORVNX-UHFFFAOYSA-N
MW264.84 g/mol
LogP2.74
Rot. Bonds9

About N-(2,2-diethylbutyl)-4-(methylamino)butanamide;hydrochloride

N-(2,2-diethylbutyl)-4-(methylamino)butanamide;hydrochloride (PubChem CID 119822011) has the molecular formula C13H29ClN2O and a molecular weight of 264.84 g/mol. Its IUPAC name is N-(2,2-diethylbutyl)-4-(methylamino)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(2,2-diethylbutyl)-4-(methylamino)butanamide;hydrochloride
PubChem CID119822011
Molecular FormulaC13H29ClN2O
Molecular Weight264.84 g/mol
Exact Mass264.20
IUPAC NameN-(2,2-diethylbutyl)-4-(methylamino)butanamide;hydrochloride
SMILESCCC(CC)(CC)CNC(=O)CCCNC.Cl
InChIInChI=1S/C13H28N2O.ClH/c1-5-13(6-2,7-3)11-15-12(16)9-8-10-14-4;/h14H,5-11H2,1-4H3,(H,15,16);1H
InChIKeyHYRJYCORKORVNX-UHFFFAOYSA-N
XLogP2.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.84
LogP ≤ 52.74
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-(2-hydroxy-2-methylpropyl)-4-(methylamino)butanamide
CID 65107193
4-(methylamino)-N-(2-methyl-2-methylsulfanylpropyl)butanamide
CID 115739817
ethyl 4-[4-(methylamino)butanoylamino]butanoate;hydrochloride
CID 119726258
N-(3,3-dimethylbutyl)-4-(methylamino)butanamide
CID 115738133
N-[2-(ethylamino)-2-oxoethyl]-4-(methylamino)butanamide
CID 60843110
N-[2-ethyl-2-(hydroxymethyl)butyl]octanamide
CID 113331570
N-[2-(aminomethyl)-2-ethylbutyl]hexanamide
CID 106250199
4-(methylamino)-N-[2-(2-methylpropanoylamino)ethyl]butanamide;hydrochloride
CID 119687959
5-bromo-N-[2-ethyl-2-(hydroxymethyl)butyl]pentanamide
CID 106253070
N-(2-cyclohexyl-2-methylpropyl)-4-(methylamino)butanamide
CID 115155864
N-(cyanomethyl)-4-(methylamino)butanamide
CID 61254467
N-(2,3-dimethylbutyl)-4-(methylamino)butanamide;hydrochloride
CID 119796498

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethylbutyl)-4-(methylamino)butanamide;hydrochloride?
The IUPAC name of N-(2,2-diethylbutyl)-4-(methylamino)butanamide;hydrochloride (CID 119822011) is N-(2,2-diethylbutyl)-4-(methylamino)butanamide;hydrochloride.
What is the SMILES notation for N-(2,2-diethylbutyl)-4-(methylamino)butanamide;hydrochloride?
The canonical SMILES for N-(2,2-diethylbutyl)-4-(methylamino)butanamide;hydrochloride is CCC(CC)(CC)CNC(=O)CCCNC.Cl.
What is the InChIKey of N-(2,2-diethylbutyl)-4-(methylamino)butanamide;hydrochloride?
The InChIKey is HYRJYCORKORVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O.ClH/c1-5-13(6-2,7-3)11-15-12(16)9-8-10-14-4;/h14H,5-11H2,1-4H3,(H,15,16);1H.
What are the key properties of N-(2,2-diethylbutyl)-4-(methylamino)butanamide;hydrochloride?
N-(2,2-diethylbutyl)-4-(methylamino)butanamide;hydrochloride has a molecular weight of 264.84 g/mol, XLogP of 2.74, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethylbutyl)-4-(methylamino)butanamide;hydrochloride is sourced from PubChem (CID 119822011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).