methyl-[3-(methylamino)propylidene]azanium

C5H13N2+ — CID 59872098

IUPACmethyl-[3-(methylamino)propylidene]azanium
SMILESCNCC/C=[NH+]/C
InChIInChI=1S/C5H12N2/c1-6-4-3-5-7-2/h4,7H,3,5H2,1-2H3/p+1/b6-4+
InChIKeyPUPRRTGBCLNHNB-GQCTYLIASA-O
MW101.17 g/mol
LogP-1.62
Rot. Bonds3

About methyl-[3-(methylamino)propylidene]azanium

methyl-[3-(methylamino)propylidene]azanium (PubChem CID 59872098) has the molecular formula C5H13N2+ and a molecular weight of 101.17 g/mol. Its IUPAC name is methyl-[3-(methylamino)propylidene]azanium.

Molecular Properties

Compound Namemethyl-[3-(methylamino)propylidene]azanium
PubChem CID59872098
Molecular FormulaC5H13N2+
Molecular Weight101.17 g/mol
Exact Mass101.11
IUPAC Namemethyl-[3-(methylamino)propylidene]azanium
SMILESCNCC/C=[NH+]/C
InChIInChI=1S/C5H12N2/c1-6-4-3-5-7-2/h4,7H,3,5H2,1-2H3/p+1/b6-4+
InChIKeyPUPRRTGBCLNHNB-GQCTYLIASA-O
XLogP-1.62
TPSA26.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.17
LogP ≤ 5-1.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl-[3-(methylamino)propylidene]azanium?
The IUPAC name of methyl-[3-(methylamino)propylidene]azanium (CID 59872098) is methyl-[3-(methylamino)propylidene]azanium.
What is the SMILES notation for methyl-[3-(methylamino)propylidene]azanium?
The canonical SMILES for methyl-[3-(methylamino)propylidene]azanium is CNCC/C=[NH+]/C.
What is the InChIKey of methyl-[3-(methylamino)propylidene]azanium?
The InChIKey is PUPRRTGBCLNHNB-GQCTYLIASA-O. The full InChI is InChI=1S/C5H12N2/c1-6-4-3-5-7-2/h4,7H,3,5H2,1-2H3/p+1/b6-4+.
What are the key properties of methyl-[3-(methylamino)propylidene]azanium?
methyl-[3-(methylamino)propylidene]azanium has a molecular weight of 101.17 g/mol, XLogP of -1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[3-(methylamino)propylidene]azanium is sourced from PubChem (CID 59872098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).