formyl-dimethyl-(2-methylpropyl)azanium

C7H16NO+ — CID 19691395

IUPACformyl-dimethyl-(2-methylpropyl)azanium
SMILESCC(C)C[N+](C)(C)C=O
InChIInChI=1S/C7H16NO/c1-7(2)5-8(3,4)6-9/h6-7H,5H2,1-4H3/q+1
InChIKeyWTHHKPVHNPBJDD-UHFFFAOYSA-N
MW130.21 g/mol
LogP0.88
Rot. Bonds3

About formyl-dimethyl-(2-methylpropyl)azanium

formyl-dimethyl-(2-methylpropyl)azanium (PubChem CID 19691395) has the molecular formula C7H16NO+ and a molecular weight of 130.21 g/mol. Its IUPAC name is formyl-dimethyl-(2-methylpropyl)azanium.

Molecular Properties

Compound Nameformyl-dimethyl-(2-methylpropyl)azanium
PubChem CID19691395
Molecular FormulaC7H16NO+
Molecular Weight130.21 g/mol
Exact Mass130.12
IUPAC Nameformyl-dimethyl-(2-methylpropyl)azanium
SMILESCC(C)C[N+](C)(C)C=O
InChIInChI=1S/C7H16NO/c1-7(2)5-8(3,4)6-9/h6-7H,5H2,1-4H3/q+1
InChIKeyWTHHKPVHNPBJDD-UHFFFAOYSA-N
XLogP0.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formyl-dimethyl-(2-methylpropyl)azanium?
The IUPAC name of formyl-dimethyl-(2-methylpropyl)azanium (CID 19691395) is formyl-dimethyl-(2-methylpropyl)azanium.
What is the SMILES notation for formyl-dimethyl-(2-methylpropyl)azanium?
The canonical SMILES for formyl-dimethyl-(2-methylpropyl)azanium is CC(C)C[N+](C)(C)C=O.
What is the InChIKey of formyl-dimethyl-(2-methylpropyl)azanium?
The InChIKey is WTHHKPVHNPBJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16NO/c1-7(2)5-8(3,4)6-9/h6-7H,5H2,1-4H3/q+1.
What are the key properties of formyl-dimethyl-(2-methylpropyl)azanium?
formyl-dimethyl-(2-methylpropyl)azanium has a molecular weight of 130.21 g/mol, XLogP of 0.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for formyl-dimethyl-(2-methylpropyl)azanium is sourced from PubChem (CID 19691395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).