trimethyl-[[methyl(pentanoyl)amino]methyl]azanium

C10H23N2O+ — CID 20652493

IUPACtrimethyl-[[methyl(pentanoyl)amino]methyl]azanium
SMILESCCCCC(=O)N(C)C[N+](C)(C)C
InChIInChI=1S/C10H23N2O/c1-6-7-8-10(13)11(2)9-12(3,4)5/h6-9H2,1-5H3/q+1
InChIKeyXTPHHEOYHFLNHK-UHFFFAOYSA-N
MW187.31 g/mol
LogP1.30
Rot. Bonds5

About trimethyl-[[methyl(pentanoyl)amino]methyl]azanium

trimethyl-[[methyl(pentanoyl)amino]methyl]azanium (PubChem CID 20652493) has the molecular formula C10H23N2O+ and a molecular weight of 187.31 g/mol. Its IUPAC name is trimethyl-[[methyl(pentanoyl)amino]methyl]azanium.

Molecular Properties

Compound Nametrimethyl-[[methyl(pentanoyl)amino]methyl]azanium
PubChem CID20652493
Molecular FormulaC10H23N2O+
Molecular Weight187.31 g/mol
Exact Mass187.18
IUPAC Nametrimethyl-[[methyl(pentanoyl)amino]methyl]azanium
SMILESCCCCC(=O)N(C)C[N+](C)(C)C
InChIInChI=1S/C10H23N2O/c1-6-7-8-10(13)11(2)9-12(3,4)5/h6-9H2,1-5H3/q+1
InChIKeyXTPHHEOYHFLNHK-UHFFFAOYSA-N
XLogP1.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 51.30
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of trimethyl-[[methyl(pentanoyl)amino]methyl]azanium?
The IUPAC name of trimethyl-[[methyl(pentanoyl)amino]methyl]azanium (CID 20652493) is trimethyl-[[methyl(pentanoyl)amino]methyl]azanium.
What is the SMILES notation for trimethyl-[[methyl(pentanoyl)amino]methyl]azanium?
The canonical SMILES for trimethyl-[[methyl(pentanoyl)amino]methyl]azanium is CCCCC(=O)N(C)C[N+](C)(C)C.
What is the InChIKey of trimethyl-[[methyl(pentanoyl)amino]methyl]azanium?
The InChIKey is XTPHHEOYHFLNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N2O/c1-6-7-8-10(13)11(2)9-12(3,4)5/h6-9H2,1-5H3/q+1.
What are the key properties of trimethyl-[[methyl(pentanoyl)amino]methyl]azanium?
trimethyl-[[methyl(pentanoyl)amino]methyl]azanium has a molecular weight of 187.31 g/mol, XLogP of 1.30, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[[methyl(pentanoyl)amino]methyl]azanium is sourced from PubChem (CID 20652493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).