dimethyl-[3-[methyl(2,2,4,4-tetramethylpentanoyl)amino]propyl]azanium

C15H33N2O+ — CID 143837818

IUPACdimethyl-[3-[methyl(2,2,4,4-tetramethylpentanoyl)amino]propyl]azanium
SMILESCN(CCC[NH+](C)C)C(=O)C(C)(C)CC(C)(C)C
InChIInChI=1S/C15H32N2O/c1-14(2,3)12-15(4,5)13(18)17(8)11-9-10-16(6)7/h9-12H2,1-8H3/p+1
InChIKeyUTBWQDVMYYJQEQ-UHFFFAOYSA-O
MW257.44 g/mol
LogP1.44
Rot. Bonds6

About dimethyl-[3-[methyl(2,2,4,4-tetramethylpentanoyl)amino]propyl]azanium

dimethyl-[3-[methyl(2,2,4,4-tetramethylpentanoyl)amino]propyl]azanium (PubChem CID 143837818) has the molecular formula C15H33N2O+ and a molecular weight of 257.44 g/mol. Its IUPAC name is dimethyl-[3-[methyl(2,2,4,4-tetramethylpentanoyl)amino]propyl]azanium.

Molecular Properties

Compound Namedimethyl-[3-[methyl(2,2,4,4-tetramethylpentanoyl)amino]propyl]azanium
PubChem CID143837818
Molecular FormulaC15H33N2O+
Molecular Weight257.44 g/mol
Exact Mass257.26
IUPAC Namedimethyl-[3-[methyl(2,2,4,4-tetramethylpentanoyl)amino]propyl]azanium
SMILESCN(CCC[NH+](C)C)C(=O)C(C)(C)CC(C)(C)C
InChIInChI=1S/C15H32N2O/c1-14(2,3)12-15(4,5)13(18)17(8)11-9-10-16(6)7/h9-12H2,1-8H3/p+1
InChIKeyUTBWQDVMYYJQEQ-UHFFFAOYSA-O
XLogP1.44
TPSA24.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.44
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of dimethyl-[3-[methyl(2,2,4,4-tetramethylpentanoyl)amino]propyl]azanium?
The IUPAC name of dimethyl-[3-[methyl(2,2,4,4-tetramethylpentanoyl)amino]propyl]azanium (CID 143837818) is dimethyl-[3-[methyl(2,2,4,4-tetramethylpentanoyl)amino]propyl]azanium.
What is the SMILES notation for dimethyl-[3-[methyl(2,2,4,4-tetramethylpentanoyl)amino]propyl]azanium?
The canonical SMILES for dimethyl-[3-[methyl(2,2,4,4-tetramethylpentanoyl)amino]propyl]azanium is CN(CCC[NH+](C)C)C(=O)C(C)(C)CC(C)(C)C.
What is the InChIKey of dimethyl-[3-[methyl(2,2,4,4-tetramethylpentanoyl)amino]propyl]azanium?
The InChIKey is UTBWQDVMYYJQEQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H32N2O/c1-14(2,3)12-15(4,5)13(18)17(8)11-9-10-16(6)7/h9-12H2,1-8H3/p+1.
What are the key properties of dimethyl-[3-[methyl(2,2,4,4-tetramethylpentanoyl)amino]propyl]azanium?
dimethyl-[3-[methyl(2,2,4,4-tetramethylpentanoyl)amino]propyl]azanium has a molecular weight of 257.44 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[3-[methyl(2,2,4,4-tetramethylpentanoyl)amino]propyl]azanium is sourced from PubChem (CID 143837818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).