trimethyl-[[2-(2-methylpropylamino)acetyl]amino]azanium

C9H22N3O+ — CID 59709226

IUPACtrimethyl-[[2-(2-methylpropylamino)acetyl]amino]azanium
SMILESCC(C)CNCC(=O)N[N+](C)(C)C
InChIInChI=1S/C9H21N3O/c1-8(2)6-10-7-9(13)11-12(3,4)5/h8,10H,6-7H2,1-5H3/p+1
InChIKeyOFIVAOTXDABSKQ-UHFFFAOYSA-O
MW188.29 g/mol
LogP-0.03
Rot. Bonds5

About trimethyl-[[2-(2-methylpropylamino)acetyl]amino]azanium

trimethyl-[[2-(2-methylpropylamino)acetyl]amino]azanium (PubChem CID 59709226) has the molecular formula C9H22N3O+ and a molecular weight of 188.29 g/mol. Its IUPAC name is trimethyl-[[2-(2-methylpropylamino)acetyl]amino]azanium.

Molecular Properties

Compound Nametrimethyl-[[2-(2-methylpropylamino)acetyl]amino]azanium
PubChem CID59709226
Molecular FormulaC9H22N3O+
Molecular Weight188.29 g/mol
Exact Mass188.18
IUPAC Nametrimethyl-[[2-(2-methylpropylamino)acetyl]amino]azanium
SMILESCC(C)CNCC(=O)N[N+](C)(C)C
InChIInChI=1S/C9H21N3O/c1-8(2)6-10-7-9(13)11-12(3,4)5/h8,10H,6-7H2,1-5H3/p+1
InChIKeyOFIVAOTXDABSKQ-UHFFFAOYSA-O
XLogP-0.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', '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-[[2-(2-methylpropylamino)acetyl]amino]azanium?
The IUPAC name of trimethyl-[[2-(2-methylpropylamino)acetyl]amino]azanium (CID 59709226) is trimethyl-[[2-(2-methylpropylamino)acetyl]amino]azanium.
What is the SMILES notation for trimethyl-[[2-(2-methylpropylamino)acetyl]amino]azanium?
The canonical SMILES for trimethyl-[[2-(2-methylpropylamino)acetyl]amino]azanium is CC(C)CNCC(=O)N[N+](C)(C)C.
What is the InChIKey of trimethyl-[[2-(2-methylpropylamino)acetyl]amino]azanium?
The InChIKey is OFIVAOTXDABSKQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H21N3O/c1-8(2)6-10-7-9(13)11-12(3,4)5/h8,10H,6-7H2,1-5H3/p+1.
What are the key properties of trimethyl-[[2-(2-methylpropylamino)acetyl]amino]azanium?
trimethyl-[[2-(2-methylpropylamino)acetyl]amino]azanium has a molecular weight of 188.29 g/mol, XLogP of -0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[[2-(2-methylpropylamino)acetyl]amino]azanium is sourced from PubChem (CID 59709226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).