(ethyliminomethylideneamino)-dimethyl-propylazanium

C8H18N3+ — CID 87891574

IUPAC(ethyliminomethylideneamino)-dimethyl-propylazanium
SMILESCCC[N+](C)(C)N=C=NCC
InChIInChI=1S/C8H18N3/c1-5-7-11(3,4)10-8-9-6-2/h5-7H2,1-4H3/q+1
InChIKeyJEPJMPVTWCOZCH-UHFFFAOYSA-N
MW156.25 g/mol
LogP1.58
Rot. Bonds4

About (ethyliminomethylideneamino)-dimethyl-propylazanium

(ethyliminomethylideneamino)-dimethyl-propylazanium (PubChem CID 87891574) has the molecular formula C8H18N3+ and a molecular weight of 156.25 g/mol. Its IUPAC name is (ethyliminomethylideneamino)-dimethyl-propylazanium.

Molecular Properties

Compound Name(ethyliminomethylideneamino)-dimethyl-propylazanium
PubChem CID87891574
Molecular FormulaC8H18N3+
Molecular Weight156.25 g/mol
Exact Mass156.15
IUPAC Name(ethyliminomethylideneamino)-dimethyl-propylazanium
SMILESCCC[N+](C)(C)N=C=NCC
InChIInChI=1S/C8H18N3/c1-5-7-11(3,4)10-8-9-6-2/h5-7H2,1-4H3/q+1
InChIKeyJEPJMPVTWCOZCH-UHFFFAOYSA-N
XLogP1.58
TPSA24.72 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 ≤ 51.58
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_2', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethylmethanamine;N-ethyl-N'-propylmethanediimine
CID 174940022
1-(ethyliminomethylideneamino)butan-1-amine
CID 87880759
dimethyl(dipropyl)azanium chloride
CID 19774441
N-ethyl-N'-prop-2-enylmethanediimine
CID 54083373
3-(ethyliminomethylideneamino)-N,N-bis(sulfanyl)propan-1-amine
CID 150563881
butyl-dimethyl-propylazanium;ethane
CID 156736047
benzyl-[2-(butyliminomethylideneamino)ethyl]-diethylazanium bromide
CID 134915128
methanidyl-dimethyl-propylazanium
CID 157375220
[3-(ethyliminomethylideneamino)propyl-(hydroxymethyl)amino]methanol
CID 152553088
N,N'-dioctadecylmethanediimine
CID 10918627
heptadecyl-dimethyl-propylazanium
CID 156729751
N-ethyl-N'-[2-(ethyliminomethylideneamino)cyclohexyl]methanediimine
CID 57330914

Frequently Asked Questions

What is the IUPAC name of (ethyliminomethylideneamino)-dimethyl-propylazanium?
The IUPAC name of (ethyliminomethylideneamino)-dimethyl-propylazanium (CID 87891574) is (ethyliminomethylideneamino)-dimethyl-propylazanium.
What is the SMILES notation for (ethyliminomethylideneamino)-dimethyl-propylazanium?
The canonical SMILES for (ethyliminomethylideneamino)-dimethyl-propylazanium is CCC[N+](C)(C)N=C=NCC.
What is the InChIKey of (ethyliminomethylideneamino)-dimethyl-propylazanium?
The InChIKey is JEPJMPVTWCOZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N3/c1-5-7-11(3,4)10-8-9-6-2/h5-7H2,1-4H3/q+1.
What are the key properties of (ethyliminomethylideneamino)-dimethyl-propylazanium?
(ethyliminomethylideneamino)-dimethyl-propylazanium has a molecular weight of 156.25 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (ethyliminomethylideneamino)-dimethyl-propylazanium is sourced from PubChem (CID 87891574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).