2-ethylphosphanylethanamine

C4H12NP — CID 55290291

IUPAC2-ethylphosphanylethanamine
SMILESCCPCCN
InChIInChI=1S/C4H12NP/c1-2-6-4-3-5/h6H,2-5H2,1H3
InChIKeyYQJHZPHPGHHKGN-UHFFFAOYSA-N
MW105.12 g/mol
LogP0.64
Rot. Bonds3

About 2-ethylphosphanylethanamine

2-ethylphosphanylethanamine (PubChem CID 55290291) has the molecular formula C4H12NP and a molecular weight of 105.12 g/mol. Its IUPAC name is 2-ethylphosphanylethanamine.

Molecular Properties

Compound Name2-ethylphosphanylethanamine
PubChem CID55290291
Molecular FormulaC4H12NP
Molecular Weight105.12 g/mol
Exact Mass105.07
IUPAC Name2-ethylphosphanylethanamine
SMILESCCPCCN
InChIInChI=1S/C4H12NP/c1-2-6-4-3-5/h6H,2-5H2,1H3
InChIKeyYQJHZPHPGHHKGN-UHFFFAOYSA-N
XLogP0.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.12
LogP ≤ 50.64
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-ethylphosphanylethanamine?
The IUPAC name of 2-ethylphosphanylethanamine (CID 55290291) is 2-ethylphosphanylethanamine.
What is the SMILES notation for 2-ethylphosphanylethanamine?
The canonical SMILES for 2-ethylphosphanylethanamine is CCPCCN.
What is the InChIKey of 2-ethylphosphanylethanamine?
The InChIKey is YQJHZPHPGHHKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12NP/c1-2-6-4-3-5/h6H,2-5H2,1H3.
What are the key properties of 2-ethylphosphanylethanamine?
2-ethylphosphanylethanamine has a molecular weight of 105.12 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylphosphanylethanamine is sourced from PubChem (CID 55290291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).