methoxy-bis(2-methylpropyl)azanium

C9H22NO+ — CID 173372897

IUPACmethoxy-bis(2-methylpropyl)azanium
SMILESCO[NH+](CC(C)C)CC(C)C
InChIInChI=1S/C9H21NO/c1-8(2)6-10(11-5)7-9(3)4/h8-9H,6-7H2,1-5H3/p+1
InChIKeyBYFXFFZFWHFDTR-UHFFFAOYSA-O
MW160.28 g/mol
LogP0.74
Rot. Bonds5

About methoxy-bis(2-methylpropyl)azanium

methoxy-bis(2-methylpropyl)azanium (PubChem CID 173372897) has the molecular formula C9H22NO+ and a molecular weight of 160.28 g/mol. Its IUPAC name is methoxy-bis(2-methylpropyl)azanium.

Molecular Properties

Compound Namemethoxy-bis(2-methylpropyl)azanium
PubChem CID173372897
Molecular FormulaC9H22NO+
Molecular Weight160.28 g/mol
Exact Mass160.17
IUPAC Namemethoxy-bis(2-methylpropyl)azanium
SMILESCO[NH+](CC(C)C)CC(C)C
InChIInChI=1S/C9H21NO/c1-8(2)6-10(11-5)7-9(3)4/h8-9H,6-7H2,1-5H3/p+1
InChIKeyBYFXFFZFWHFDTR-UHFFFAOYSA-O
XLogP0.74
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methoxy-bis(2-methylpropyl)azanium?
The IUPAC name of methoxy-bis(2-methylpropyl)azanium (CID 173372897) is methoxy-bis(2-methylpropyl)azanium.
What is the SMILES notation for methoxy-bis(2-methylpropyl)azanium?
The canonical SMILES for methoxy-bis(2-methylpropyl)azanium is CO[NH+](CC(C)C)CC(C)C.
What is the InChIKey of methoxy-bis(2-methylpropyl)azanium?
The InChIKey is BYFXFFZFWHFDTR-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H21NO/c1-8(2)6-10(11-5)7-9(3)4/h8-9H,6-7H2,1-5H3/p+1.
What are the key properties of methoxy-bis(2-methylpropyl)azanium?
methoxy-bis(2-methylpropyl)azanium has a molecular weight of 160.28 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-bis(2-methylpropyl)azanium is sourced from PubChem (CID 173372897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).