ethyl-[(ethylazaniumyl)methyl]azanium

C5H16N2+2 — CID 140844105

IUPACethyl-[(ethylazaniumyl)methyl]azanium
SMILESCC[NH2+]C[NH2+]CC
InChIInChI=1S/C5H14N2/c1-3-6-5-7-4-2/h6-7H,3-5H2,1-2H3/p+2
InChIKeyRVDHYOWMCJBTCR-UHFFFAOYSA-P
MW104.20 g/mol
LogP-1.89
Rot. Bonds4

About ethyl-[(ethylazaniumyl)methyl]azanium

ethyl-[(ethylazaniumyl)methyl]azanium (PubChem CID 140844105) has the molecular formula C5H16N2+2 and a molecular weight of 104.20 g/mol. Its IUPAC name is ethyl-[(ethylazaniumyl)methyl]azanium.

Molecular Properties

Compound Nameethyl-[(ethylazaniumyl)methyl]azanium
PubChem CID140844105
Molecular FormulaC5H16N2+2
Molecular Weight104.20 g/mol
Exact Mass104.13
IUPAC Nameethyl-[(ethylazaniumyl)methyl]azanium
SMILESCC[NH2+]C[NH2+]CC
InChIInChI=1S/C5H14N2/c1-3-6-5-7-4-2/h6-7H,3-5H2,1-2H3/p+2
InChIKeyRVDHYOWMCJBTCR-UHFFFAOYSA-P
XLogP-1.89
TPSA33.22 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.20
LogP ≤ 5-1.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

diethylazanium;propane
CID 22646025
2-azaniumylethyl(ethyl)azanium dibromide
CID 160800492
ethyl(tridecyl)azanium iodide
CID 88651524
ethyl(hydroxy)azanium
CID 18475177
ethyl(methyl)azanium fluoride
CID 21318344
ethyl(formyl)azanium
CID 173329739
ethyl-[4-[4-[4-(ethylazaniumyl)butylazaniumyl]but-2-ynylazaniumyl]butyl]azanium tetrachloride
CID 10741171
ethyl-[4-[[(Z)-4-[4-(ethylazaniumyl)butylazaniumyl]but-2-enyl]azaniumyl]butyl]azanium tetrachloride
CID 10622520
bis[4-[[(Z)-4-(ethylazaniumyl)but-2-enyl]azaniumyl]butyl]azanium pentachloride
CID 10792442
diethylazanium;N,N-diethylcarbamodiselenoate
CID 134889980
ethyl-[(2S)-3-[3-[[(2S)-3-(ethylazaniumyl)-2-hydroxypropyl]azaniumyl]propylazaniumyl]-2-hydroxypropyl]azanium tetrachloride
CID 10693501
dipropylazanium dichloride
CID 23338822

Frequently Asked Questions

What is the IUPAC name of ethyl-[(ethylazaniumyl)methyl]azanium?
The IUPAC name of ethyl-[(ethylazaniumyl)methyl]azanium (CID 140844105) is ethyl-[(ethylazaniumyl)methyl]azanium.
What is the SMILES notation for ethyl-[(ethylazaniumyl)methyl]azanium?
The canonical SMILES for ethyl-[(ethylazaniumyl)methyl]azanium is CC[NH2+]C[NH2+]CC.
What is the InChIKey of ethyl-[(ethylazaniumyl)methyl]azanium?
The InChIKey is RVDHYOWMCJBTCR-UHFFFAOYSA-P. The full InChI is InChI=1S/C5H14N2/c1-3-6-5-7-4-2/h6-7H,3-5H2,1-2H3/p+2.
What are the key properties of ethyl-[(ethylazaniumyl)methyl]azanium?
ethyl-[(ethylazaniumyl)methyl]azanium has a molecular weight of 104.20 g/mol, XLogP of -1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[(ethylazaniumyl)methyl]azanium is sourced from PubChem (CID 140844105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).