2-methylbutylazanium formate

C6H15NO2 — CID 134716580

IUPAC2-methylbutylazanium formate
SMILESCCC(C)C[NH3+].O=C[O-]
InChIInChI=1S/C5H13N.CH2O2/c1-3-5(2)4-6;2-1-3/h5H,3-4,6H2,1-2H3;1H,(H,2,3)
InChIKeyIMHQOJNGVJBABJ-UHFFFAOYSA-N
MW133.19 g/mol
LogP-1.36
Rot. Bonds2

About 2-methylbutylazanium formate

2-methylbutylazanium formate (PubChem CID 134716580) has the molecular formula C6H15NO2 and a molecular weight of 133.19 g/mol. Its IUPAC name is 2-methylbutylazanium formate.

Molecular Properties

Compound Name2-methylbutylazanium formate
PubChem CID134716580
Molecular FormulaC6H15NO2
Molecular Weight133.19 g/mol
Exact Mass133.11
IUPAC Name2-methylbutylazanium formate
SMILESCCC(C)C[NH3+].O=C[O-]
InChIInChI=1S/C5H13N.CH2O2/c1-3-5(2)4-6;2-1-3/h5H,3-4,6H2,1-2H3;1H,(H,2,3)
InChIKeyIMHQOJNGVJBABJ-UHFFFAOYSA-N
XLogP-1.36
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 5-1.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butan-2-ylazanium formate
CID 135151120
triazanium;ethanolate;formate
CID 141132682
3-methylpentane;hydrate
CID 144914279
methane;3-methylpentane
CID 157218592
ethane;3-methylpentane
CID 91147782
3-methylpentane;propane
CID 123266773
methane;3-methylpentane
CID 153359275
zinc;propane;formate
CID 159113453
4,7-dimethylnonanal
CID 87290996
alumane;5-methylheptanal
CID 175597367
3-methylpentane;pentanal
CID 142027921
2-methyl-1-(2-methylpropylsulfanyl)butane
CID 21026484

Frequently Asked Questions

What is the IUPAC name of 2-methylbutylazanium formate?
The IUPAC name of 2-methylbutylazanium formate (CID 134716580) is 2-methylbutylazanium formate.
What is the SMILES notation for 2-methylbutylazanium formate?
The canonical SMILES for 2-methylbutylazanium formate is CCC(C)C[NH3+].O=C[O-].
What is the InChIKey of 2-methylbutylazanium formate?
The InChIKey is IMHQOJNGVJBABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N.CH2O2/c1-3-5(2)4-6;2-1-3/h5H,3-4,6H2,1-2H3;1H,(H,2,3).
What are the key properties of 2-methylbutylazanium formate?
2-methylbutylazanium formate has a molecular weight of 133.19 g/mol, XLogP of -1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutylazanium formate is sourced from PubChem (CID 134716580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).