N-ethyl-2-phosphanylethanamine

C4H12NP — CID 91132910

IUPACN-ethyl-2-phosphanylethanamine
SMILESCCNCCP
InChIInChI=1S/C4H12NP/c1-2-5-3-4-6/h5H,2-4,6H2,1H3
InChIKeyKTMVIGIAMAEAQH-UHFFFAOYSA-N
MW105.12 g/mol
LogP0.47
Rot. Bonds3

About N-ethyl-2-phosphanylethanamine

N-ethyl-2-phosphanylethanamine (PubChem CID 91132910) has the molecular formula C4H12NP and a molecular weight of 105.12 g/mol. Its IUPAC name is N-ethyl-2-phosphanylethanamine.

Molecular Properties

Compound NameN-ethyl-2-phosphanylethanamine
PubChem CID91132910
Molecular FormulaC4H12NP
Molecular Weight105.12 g/mol
Exact Mass105.07
IUPAC NameN-ethyl-2-phosphanylethanamine
SMILESCCNCCP
InChIInChI=1S/C4H12NP/c1-2-5-3-4-6/h5H,2-4,6H2,1H3
InChIKeyKTMVIGIAMAEAQH-UHFFFAOYSA-N
XLogP0.47
TPSA12.03 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 ≤ 50.47
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-phosphanylethanamine?
The IUPAC name of N-ethyl-2-phosphanylethanamine (CID 91132910) is N-ethyl-2-phosphanylethanamine.
What is the SMILES notation for N-ethyl-2-phosphanylethanamine?
The canonical SMILES for N-ethyl-2-phosphanylethanamine is CCNCCP.
What is the InChIKey of N-ethyl-2-phosphanylethanamine?
The InChIKey is KTMVIGIAMAEAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12NP/c1-2-5-3-4-6/h5H,2-4,6H2,1H3.
What are the key properties of N-ethyl-2-phosphanylethanamine?
N-ethyl-2-phosphanylethanamine has a molecular weight of 105.12 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-phosphanylethanamine is sourced from PubChem (CID 91132910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).