N-ethyl-2-ethylphosphanylethanamine

C6H16NP — CID 130006283

IUPACN-ethyl-2-ethylphosphanylethanamine
SMILESCCNCCPCC
InChIInChI=1S/C6H16NP/c1-3-7-5-6-8-4-2/h7-8H,3-6H2,1-2H3
InChIKeyONNKUJAIHMDQPW-UHFFFAOYSA-N
MW133.18 g/mol
LogP1.29
Rot. Bonds5

About N-ethyl-2-ethylphosphanylethanamine

N-ethyl-2-ethylphosphanylethanamine (PubChem CID 130006283) has the molecular formula C6H16NP and a molecular weight of 133.18 g/mol. Its IUPAC name is N-ethyl-2-ethylphosphanylethanamine.

Molecular Properties

Compound NameN-ethyl-2-ethylphosphanylethanamine
PubChem CID130006283
Molecular FormulaC6H16NP
Molecular Weight133.18 g/mol
Exact Mass133.10
IUPAC NameN-ethyl-2-ethylphosphanylethanamine
SMILESCCNCCPCC
InChIInChI=1S/C6H16NP/c1-3-7-5-6-8-4-2/h7-8H,3-6H2,1-2H3
InChIKeyONNKUJAIHMDQPW-UHFFFAOYSA-N
XLogP1.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.18
LogP ≤ 51.29
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 N-ethyl-2-ethylphosphanylethanamine?
The IUPAC name of N-ethyl-2-ethylphosphanylethanamine (CID 130006283) is N-ethyl-2-ethylphosphanylethanamine.
What is the SMILES notation for N-ethyl-2-ethylphosphanylethanamine?
The canonical SMILES for N-ethyl-2-ethylphosphanylethanamine is CCNCCPCC.
What is the InChIKey of N-ethyl-2-ethylphosphanylethanamine?
The InChIKey is ONNKUJAIHMDQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16NP/c1-3-7-5-6-8-4-2/h7-8H,3-6H2,1-2H3.
What are the key properties of N-ethyl-2-ethylphosphanylethanamine?
N-ethyl-2-ethylphosphanylethanamine has a molecular weight of 133.18 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-ethylphosphanylethanamine is sourced from PubChem (CID 130006283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).