2-(ethylamino)ethylidynephosphanium

C4H9NP+ — CID 123827575

IUPAC2-(ethylamino)ethylidynephosphanium
SMILESCCNCC#[PH+]
InChIInChI=1S/C4H8NP/c1-2-5-3-4-6/h5H,2-3H2,1H3/p+1
InChIKeyTZFOGVMBEKIEFF-UHFFFAOYSA-O
MW102.10 g/mol
LogP0.70
Rot. Bonds2

About 2-(ethylamino)ethylidynephosphanium

2-(ethylamino)ethylidynephosphanium (PubChem CID 123827575) has the molecular formula C4H9NP+ and a molecular weight of 102.10 g/mol. Its IUPAC name is 2-(ethylamino)ethylidynephosphanium.

Molecular Properties

Compound Name2-(ethylamino)ethylidynephosphanium
PubChem CID123827575
Molecular FormulaC4H9NP+
Molecular Weight102.10 g/mol
Exact Mass102.05
IUPAC Name2-(ethylamino)ethylidynephosphanium
SMILESCCNCC#[PH+]
InChIInChI=1S/C4H8NP/c1-2-5-3-4-6/h5H,2-3H2,1H3/p+1
InChIKeyTZFOGVMBEKIEFF-UHFFFAOYSA-O
XLogP0.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.10
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)ethylidynephosphanium?
The IUPAC name of 2-(ethylamino)ethylidynephosphanium (CID 123827575) is 2-(ethylamino)ethylidynephosphanium.
What is the SMILES notation for 2-(ethylamino)ethylidynephosphanium?
The canonical SMILES for 2-(ethylamino)ethylidynephosphanium is CCNCC#[PH+].
What is the InChIKey of 2-(ethylamino)ethylidynephosphanium?
The InChIKey is TZFOGVMBEKIEFF-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H8NP/c1-2-5-3-4-6/h5H,2-3H2,1H3/p+1.
What are the key properties of 2-(ethylamino)ethylidynephosphanium?
2-(ethylamino)ethylidynephosphanium has a molecular weight of 102.10 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)ethylidynephosphanium is sourced from PubChem (CID 123827575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).