2-(ethylamino)ethylidene-dimethylazanium

C6H15N2+ — CID 123279546

IUPAC2-(ethylamino)ethylidene-dimethylazanium
SMILESCCNCC=[N+](C)C
InChIInChI=1S/C6H15N2/c1-4-7-5-6-8(2)3/h6-7H,4-5H2,1-3H3/q+1
InChIKeyRDVKLKXRCDGIIK-UHFFFAOYSA-N
MW115.20 g/mol
LogP-0.06
Rot. Bonds3

About 2-(ethylamino)ethylidene-dimethylazanium

2-(ethylamino)ethylidene-dimethylazanium (PubChem CID 123279546) has the molecular formula C6H15N2+ and a molecular weight of 115.20 g/mol. Its IUPAC name is 2-(ethylamino)ethylidene-dimethylazanium.

Molecular Properties

Compound Name2-(ethylamino)ethylidene-dimethylazanium
PubChem CID123279546
Molecular FormulaC6H15N2+
Molecular Weight115.20 g/mol
Exact Mass115.12
IUPAC Name2-(ethylamino)ethylidene-dimethylazanium
SMILESCCNCC=[N+](C)C
InChIInChI=1S/C6H15N2/c1-4-7-5-6-8(2)3/h6-7H,4-5H2,1-3H3/q+1
InChIKeyRDVKLKXRCDGIIK-UHFFFAOYSA-N
XLogP-0.06
TPSA15.04 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.20
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-(ethylamino)ethylidenevanadium
CID 145023403
2-(ethylamino)ethanethial
CID 22995262
sodium;2-(ethylamino)acetaldehyde;hydride
CID 173371347
2-(ethylamino)ethanethial;hydrochloride
CID 22995261
N-(1,2-13C2)ethyl(1,2-13C2)ethanamine
CID 71309791
N-ethylbut-2-en-1-amine;hydrochloride
CID 155653042
sodium;N-ethylprop-2-en-1-amine;hydride
CID 173234565
dimethylsilane;N-ethylethanamine
CID 158306099
(Z)-4-(ethylamino)but-2-en-1-ol
CID 55287982
N-ethylethanamine;platinum
CID 88506582
N-ethylethanamine;yttrium
CID 174702634
N-ethylethanamine;λ2-plumbane
CID 174566138

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)ethylidene-dimethylazanium?
The IUPAC name of 2-(ethylamino)ethylidene-dimethylazanium (CID 123279546) is 2-(ethylamino)ethylidene-dimethylazanium.
What is the SMILES notation for 2-(ethylamino)ethylidene-dimethylazanium?
The canonical SMILES for 2-(ethylamino)ethylidene-dimethylazanium is CCNCC=[N+](C)C.
What is the InChIKey of 2-(ethylamino)ethylidene-dimethylazanium?
The InChIKey is RDVKLKXRCDGIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N2/c1-4-7-5-6-8(2)3/h6-7H,4-5H2,1-3H3/q+1.
What are the key properties of 2-(ethylamino)ethylidene-dimethylazanium?
2-(ethylamino)ethylidene-dimethylazanium has a molecular weight of 115.20 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)ethylidene-dimethylazanium is sourced from PubChem (CID 123279546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).