dimethyl-[3-(2-methylpropanoylamino)propyl]azanium chloride

C9H21ClN2O — CID 88863969

IUPACdimethyl-[3-(2-methylpropanoylamino)propyl]azanium chloride
SMILESCC(C)C(=O)NCCC[NH+](C)C.[Cl-]
InChIInChI=1S/C9H20N2O.ClH/c1-8(2)9(12)10-6-5-7-11(3)4;/h8H,5-7H2,1-4H3,(H,10,12);1H
InChIKeyHIYKPZVQPCZKMY-UHFFFAOYSA-N
MW208.73 g/mol
LogP-3.70
Rot. Bonds5

About dimethyl-[3-(2-methylpropanoylamino)propyl]azanium chloride

dimethyl-[3-(2-methylpropanoylamino)propyl]azanium chloride (PubChem CID 88863969) has the molecular formula C9H21ClN2O and a molecular weight of 208.73 g/mol. Its IUPAC name is dimethyl-[3-(2-methylpropanoylamino)propyl]azanium chloride.

Molecular Properties

Compound Namedimethyl-[3-(2-methylpropanoylamino)propyl]azanium chloride
PubChem CID88863969
Molecular FormulaC9H21ClN2O
Molecular Weight208.73 g/mol
Exact Mass208.13
IUPAC Namedimethyl-[3-(2-methylpropanoylamino)propyl]azanium chloride
SMILESCC(C)C(=O)NCCC[NH+](C)C.[Cl-]
InChIInChI=1S/C9H20N2O.ClH/c1-8(2)9(12)10-6-5-7-11(3)4;/h8H,5-7H2,1-4H3,(H,10,12);1H
InChIKeyHIYKPZVQPCZKMY-UHFFFAOYSA-N
XLogP-3.70
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.73
LogP ≤ 5-3.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[4-(methylamino)butyl]propanamide
CID 134337431
3-(ethoxycarbonylamino)propyl-dimethylazanium chloride
CID 86735956
5-[3-(dimethylazaniumyl)propylamino]-2-ethyl-4-methyl-5-oxopentanoate
CID 18721534
N-(4-iodobutyl)-2-methylpropanamide
CID 106846400
N-(3-aminopropyl)-2-methylpropanamide;hydrochloride
CID 71757297
N-(7-aminoheptyl)-2-methylpropanamide
CID 89281092
2-methyl-N-(6-methylheptyl)propanamide
CID 139441078
N-(4-bromopentyl)-2-methylpropanamide
CID 106130687
3-[[4-[3-(dimethylazaniumyl)propylcarbamoyl]benzoyl]amino]propyl-dimethylazanium
CID 2164611
2-methyl-N-(9-methyl-8-oxodecyl)propanamide
CID 167573684
2-methyl-N-(4-oxo-5-propan-2-yloxypentyl)propanamide
CID 161489281
2-methyl-N-[5-[(2-propan-2-yloxyacetyl)amino]pentyl]propanamide
CID 138728413

Frequently Asked Questions

What is the IUPAC name of dimethyl-[3-(2-methylpropanoylamino)propyl]azanium chloride?
The IUPAC name of dimethyl-[3-(2-methylpropanoylamino)propyl]azanium chloride (CID 88863969) is dimethyl-[3-(2-methylpropanoylamino)propyl]azanium chloride.
What is the SMILES notation for dimethyl-[3-(2-methylpropanoylamino)propyl]azanium chloride?
The canonical SMILES for dimethyl-[3-(2-methylpropanoylamino)propyl]azanium chloride is CC(C)C(=O)NCCC[NH+](C)C.[Cl-].
What is the InChIKey of dimethyl-[3-(2-methylpropanoylamino)propyl]azanium chloride?
The InChIKey is HIYKPZVQPCZKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O.ClH/c1-8(2)9(12)10-6-5-7-11(3)4;/h8H,5-7H2,1-4H3,(H,10,12);1H.
What are the key properties of dimethyl-[3-(2-methylpropanoylamino)propyl]azanium chloride?
dimethyl-[3-(2-methylpropanoylamino)propyl]azanium chloride has a molecular weight of 208.73 g/mol, XLogP of -3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[3-(2-methylpropanoylamino)propyl]azanium chloride is sourced from PubChem (CID 88863969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).