methylidene-[methyl(propyl)amino]azanium

C5H13N2+ — CID 173285899

IUPACmethylidene-[methyl(propyl)amino]azanium
SMILESC=[NH+]N(C)CCC
InChIInChI=1S/C5H12N2/c1-4-5-7(3)6-2/h2,4-5H2,1,3H3/p+1
InChIKeyRIUBBWHDGSZUKS-UHFFFAOYSA-O
MW101.17 g/mol
LogP-0.98
Rot. Bonds3

About methylidene-[methyl(propyl)amino]azanium

methylidene-[methyl(propyl)amino]azanium (PubChem CID 173285899) has the molecular formula C5H13N2+ and a molecular weight of 101.17 g/mol. Its IUPAC name is methylidene-[methyl(propyl)amino]azanium.

Molecular Properties

Compound Namemethylidene-[methyl(propyl)amino]azanium
PubChem CID173285899
Molecular FormulaC5H13N2+
Molecular Weight101.17 g/mol
Exact Mass101.11
IUPAC Namemethylidene-[methyl(propyl)amino]azanium
SMILESC=[NH+]N(C)CCC
InChIInChI=1S/C5H12N2/c1-4-5-7(3)6-2/h2,4-5H2,1,3H3/p+1
InChIKeyRIUBBWHDGSZUKS-UHFFFAOYSA-O
XLogP-0.98
TPSA17.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.17
LogP ≤ 5-0.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methylidene-[methyl(propyl)amino]azanium?
The IUPAC name of methylidene-[methyl(propyl)amino]azanium (CID 173285899) is methylidene-[methyl(propyl)amino]azanium.
What is the SMILES notation for methylidene-[methyl(propyl)amino]azanium?
The canonical SMILES for methylidene-[methyl(propyl)amino]azanium is C=[NH+]N(C)CCC.
What is the InChIKey of methylidene-[methyl(propyl)amino]azanium?
The InChIKey is RIUBBWHDGSZUKS-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H12N2/c1-4-5-7(3)6-2/h2,4-5H2,1,3H3/p+1.
What are the key properties of methylidene-[methyl(propyl)amino]azanium?
methylidene-[methyl(propyl)amino]azanium has a molecular weight of 101.17 g/mol, XLogP of -0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methylidene-[methyl(propyl)amino]azanium is sourced from PubChem (CID 173285899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).