dimethylamino-ethyl-(propyliminomethylidene)azanium

C8H18N3+ — CID 18621174

IUPACdimethylamino-ethyl-(propyliminomethylidene)azanium
SMILESCCCN=C=[N+](CC)N(C)C
InChIInChI=1S/C8H18N3/c1-5-7-9-8-11(6-2)10(3)4/h5-7H2,1-4H3/q+1
InChIKeyARJPDSZICQCEIZ-UHFFFAOYSA-N
MW156.25 g/mol
LogP1.08
Rot. Bonds4

About dimethylamino-ethyl-(propyliminomethylidene)azanium

dimethylamino-ethyl-(propyliminomethylidene)azanium (PubChem CID 18621174) has the molecular formula C8H18N3+ and a molecular weight of 156.25 g/mol. Its IUPAC name is dimethylamino-ethyl-(propyliminomethylidene)azanium.

Molecular Properties

Compound Namedimethylamino-ethyl-(propyliminomethylidene)azanium
PubChem CID18621174
Molecular FormulaC8H18N3+
Molecular Weight156.25 g/mol
Exact Mass156.15
IUPAC Namedimethylamino-ethyl-(propyliminomethylidene)azanium
SMILESCCCN=C=[N+](CC)N(C)C
InChIInChI=1S/C8H18N3/c1-5-7-9-8-11(6-2)10(3)4/h5-7H2,1-4H3/q+1
InChIKeyARJPDSZICQCEIZ-UHFFFAOYSA-N
XLogP1.08
TPSA18.61 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethylamino-ethyl-(propyliminomethylidene)azanium?
The IUPAC name of dimethylamino-ethyl-(propyliminomethylidene)azanium (CID 18621174) is dimethylamino-ethyl-(propyliminomethylidene)azanium.
What is the SMILES notation for dimethylamino-ethyl-(propyliminomethylidene)azanium?
The canonical SMILES for dimethylamino-ethyl-(propyliminomethylidene)azanium is CCCN=C=[N+](CC)N(C)C.
What is the InChIKey of dimethylamino-ethyl-(propyliminomethylidene)azanium?
The InChIKey is ARJPDSZICQCEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N3/c1-5-7-9-8-11(6-2)10(3)4/h5-7H2,1-4H3/q+1.
What are the key properties of dimethylamino-ethyl-(propyliminomethylidene)azanium?
dimethylamino-ethyl-(propyliminomethylidene)azanium has a molecular weight of 156.25 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylamino-ethyl-(propyliminomethylidene)azanium is sourced from PubChem (CID 18621174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).