2-methylpropyl(oxido)azanium

C4H11NO — CID 170533392

IUPAC2-methylpropyl(oxido)azanium
SMILESCC(C)C[NH2+][O-]
InChIInChI=1S/C4H11NO/c1-4(2)3-5-6/h4H,3,5H2,1-2H3
InChIKeySVDRYFFJOHQEMO-UHFFFAOYSA-N
MW89.14 g/mol
LogP-0.30
Rot. Bonds2

About 2-methylpropyl(oxido)azanium

2-methylpropyl(oxido)azanium (PubChem CID 170533392) has the molecular formula C4H11NO and a molecular weight of 89.14 g/mol. Its IUPAC name is 2-methylpropyl(oxido)azanium.

Molecular Properties

Compound Name2-methylpropyl(oxido)azanium
PubChem CID170533392
Molecular FormulaC4H11NO
Molecular Weight89.14 g/mol
Exact Mass89.08
IUPAC Name2-methylpropyl(oxido)azanium
SMILESCC(C)C[NH2+][O-]
InChIInChI=1S/C4H11NO/c1-4(2)3-5-6/h4H,3,5H2,1-2H3
InChIKeySVDRYFFJOHQEMO-UHFFFAOYSA-N
XLogP-0.30
TPSA39.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.14
LogP ≤ 5-0.30
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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Related Compounds

2-methylpropyl-[6-(2-methylpropylazaniumyl)hexyl]azanium
CID 7020358
Germane, (2-methylpropyl)-
CID 57473004
2-dodecyltetradecyl(oxido)azanium
CID 139671131
tris(2-methylpropan-1-olate);zirconium(3+)
CID 175879819
2-hydroxytetradecyl(oxido)azanium
CID 87719559
2,34-dimethylpentatriacontan-18-yl(oxido)azanium
CID 139616202
[(2R)-2,3-dibromopropyl]-(2-methylpropyl)azanium
CID 7039155
but-2-ynyl(2-methylpropyl)azanium
CID 7015377
ethanolate;tetrakis(propan-2-olate);bis(silicon(4+))
CID 158885954
tris(2-methylpropan-1-olate);oxygen(2-);vanadium
CID 22290025
18-methylnonadec-9-enyl(oxido)azanium
CID 173000282
2-methylbutane
CID 158117812

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl(oxido)azanium?
The IUPAC name of 2-methylpropyl(oxido)azanium (CID 170533392) is 2-methylpropyl(oxido)azanium.
What is the SMILES notation for 2-methylpropyl(oxido)azanium?
The canonical SMILES for 2-methylpropyl(oxido)azanium is CC(C)C[NH2+][O-].
What is the InChIKey of 2-methylpropyl(oxido)azanium?
The InChIKey is SVDRYFFJOHQEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO/c1-4(2)3-5-6/h4H,3,5H2,1-2H3.
What are the key properties of 2-methylpropyl(oxido)azanium?
2-methylpropyl(oxido)azanium has a molecular weight of 89.14 g/mol, XLogP of -0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl(oxido)azanium is sourced from PubChem (CID 170533392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).