methyl(propyl)azanium

C4H12N+ — CID 6993592

IUPACmethyl(propyl)azanium
SMILESCCC[NH2+]C
InChIInChI=1S/C4H11N/c1-3-4-5-2/h5H,3-4H2,1-2H3/p+1
InChIKeyGVWISOJSERXQBM-UHFFFAOYSA-O
MW74.15 g/mol
LogP-0.41
Rot. Bonds2

About methyl(propyl)azanium

methyl(propyl)azanium (PubChem CID 6993592) has the molecular formula C4H12N+ and a molecular weight of 74.15 g/mol. Its IUPAC name is methyl(propyl)azanium.

Molecular Properties

Compound Namemethyl(propyl)azanium
PubChem CID6993592
Molecular FormulaC4H12N+
Molecular Weight74.15 g/mol
Exact Mass74.10
IUPAC Namemethyl(propyl)azanium
SMILESCCC[NH2+]C
InChIInChI=1S/C4H11N/c1-3-4-5-2/h5H,3-4H2,1-2H3/p+1
InChIKeyGVWISOJSERXQBM-UHFFFAOYSA-O
XLogP-0.41
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50074.15
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of methyl(propyl)azanium?
The IUPAC name of methyl(propyl)azanium (CID 6993592) is methyl(propyl)azanium.
What is the SMILES notation for methyl(propyl)azanium?
The canonical SMILES for methyl(propyl)azanium is CCC[NH2+]C.
What is the InChIKey of methyl(propyl)azanium?
The InChIKey is GVWISOJSERXQBM-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H11N/c1-3-4-5-2/h5H,3-4H2,1-2H3/p+1.
What are the key properties of methyl(propyl)azanium?
methyl(propyl)azanium has a molecular weight of 74.15 g/mol, XLogP of -0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(propyl)azanium is sourced from PubChem (CID 6993592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).