trimethyl-[(2-methylpropanoylamino)methyl]azanium

C8H19N2O+ — CID 22891744

IUPACtrimethyl-[(2-methylpropanoylamino)methyl]azanium
SMILESCC(C)C(=O)NC[N+](C)(C)C
InChIInChI=1S/C8H18N2O/c1-7(2)8(11)9-6-10(3,4)5/h7H,6H2,1-5H3/p+1
InChIKeyFJWYQOITHCRBEI-UHFFFAOYSA-O
MW159.25 g/mol
LogP0.42
Rot. Bonds3

About trimethyl-[(2-methylpropanoylamino)methyl]azanium

trimethyl-[(2-methylpropanoylamino)methyl]azanium (PubChem CID 22891744) has the molecular formula C8H19N2O+ and a molecular weight of 159.25 g/mol. Its IUPAC name is trimethyl-[(2-methylpropanoylamino)methyl]azanium.

Molecular Properties

Compound Nametrimethyl-[(2-methylpropanoylamino)methyl]azanium
PubChem CID22891744
Molecular FormulaC8H19N2O+
Molecular Weight159.25 g/mol
Exact Mass159.15
IUPAC Nametrimethyl-[(2-methylpropanoylamino)methyl]azanium
SMILESCC(C)C(=O)NC[N+](C)(C)C
InChIInChI=1S/C8H18N2O/c1-7(2)8(11)9-6-10(3,4)5/h7H,6H2,1-5H3/p+1
InChIKeyFJWYQOITHCRBEI-UHFFFAOYSA-O
XLogP0.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N-Isobutylidenedipivalamide
CID 132235
N-methylene bispropionamide
CID 15273003
N-[bis(propanoylamino)methyl]propanamide
CID 15326915
(3-Fluoropropanoylamino)methyl-trimethylazanium
CID 58850928
N-[bis(butanoylamino)methyl]butanamide
CID 44719771
3-(Dimethylamino)-N-((dimethylamino)methyl)propionamide
CID 104273
N-[(dimethylamino)methyl]propanamide
CID 421122
N-[(2,2-dimethylpropanoylamino)methyl]-2,2-dimethylpropanamide
CID 3786773
Bis(acetamidomethyl)-dimethylazanium
CID 12719364
3-trimethylstannyl-N-[(3-trimethylstannylpropanoylamino)methyl]propanamide
CID 12901412
N-[(dimethylamino)methyl]-2-methylbutanamide
CID 18715938
N-(acetamidomethyl)propanamide
CID 20653399

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(2-methylpropanoylamino)methyl]azanium?
The IUPAC name of trimethyl-[(2-methylpropanoylamino)methyl]azanium (CID 22891744) is trimethyl-[(2-methylpropanoylamino)methyl]azanium.
What is the SMILES notation for trimethyl-[(2-methylpropanoylamino)methyl]azanium?
The canonical SMILES for trimethyl-[(2-methylpropanoylamino)methyl]azanium is CC(C)C(=O)NC[N+](C)(C)C.
What is the InChIKey of trimethyl-[(2-methylpropanoylamino)methyl]azanium?
The InChIKey is FJWYQOITHCRBEI-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H18N2O/c1-7(2)8(11)9-6-10(3,4)5/h7H,6H2,1-5H3/p+1.
What are the key properties of trimethyl-[(2-methylpropanoylamino)methyl]azanium?
trimethyl-[(2-methylpropanoylamino)methyl]azanium has a molecular weight of 159.25 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(2-methylpropanoylamino)methyl]azanium is sourced from PubChem (CID 22891744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).