ethyl-methanidyl-dimethylazanium

C5H13N — CID 20702173

IUPACethyl-methanidyl-dimethylazanium
SMILES[CH2-][N+](C)(C)CC
InChIInChI=1S/C5H13N/c1-5-6(2,3)4/h2,5H2,1,3-4H3
InChIKeyJWRDRKROUWHKQQ-UHFFFAOYSA-N
MW87.17 g/mol
LogP0.87
Rot. Bonds1

About ethyl-methanidyl-dimethylazanium

ethyl-methanidyl-dimethylazanium (PubChem CID 20702173) has the molecular formula C5H13N and a molecular weight of 87.17 g/mol. Its IUPAC name is ethyl-methanidyl-dimethylazanium.

Molecular Properties

Compound Nameethyl-methanidyl-dimethylazanium
PubChem CID20702173
Molecular FormulaC5H13N
Molecular Weight87.17 g/mol
Exact Mass87.10
IUPAC Nameethyl-methanidyl-dimethylazanium
SMILES[CH2-][N+](C)(C)CC
InChIInChI=1S/C5H13N/c1-5-6(2,3)4/h2,5H2,1,3-4H3
InChIKeyJWRDRKROUWHKQQ-UHFFFAOYSA-N
XLogP0.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.17
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl-methanidyl-dimethylazanium?
The IUPAC name of ethyl-methanidyl-dimethylazanium (CID 20702173) is ethyl-methanidyl-dimethylazanium.
What is the SMILES notation for ethyl-methanidyl-dimethylazanium?
The canonical SMILES for ethyl-methanidyl-dimethylazanium is [CH2-][N+](C)(C)CC.
What is the InChIKey of ethyl-methanidyl-dimethylazanium?
The InChIKey is JWRDRKROUWHKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N/c1-5-6(2,3)4/h2,5H2,1,3-4H3.
What are the key properties of ethyl-methanidyl-dimethylazanium?
ethyl-methanidyl-dimethylazanium has a molecular weight of 87.17 g/mol, XLogP of 0.87, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-methanidyl-dimethylazanium is sourced from PubChem (CID 20702173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).