3-diethylphosphanylpropan-1-amine

C7H18NP — CID 55289887

IUPAC3-diethylphosphanylpropan-1-amine
SMILESCCP(CC)CCCN
InChIInChI=1S/C7H18NP/c1-3-9(4-2)7-5-6-8/h3-8H2,1-2H3
InChIKeyQIDKAAZWTSKBOX-UHFFFAOYSA-N
MW147.20 g/mol
LogP1.86
Rot. Bonds5

About 3-diethylphosphanylpropan-1-amine

3-diethylphosphanylpropan-1-amine (PubChem CID 55289887) has the molecular formula C7H18NP and a molecular weight of 147.20 g/mol. Its IUPAC name is 3-diethylphosphanylpropan-1-amine.

Molecular Properties

Compound Name3-diethylphosphanylpropan-1-amine
PubChem CID55289887
Molecular FormulaC7H18NP
Molecular Weight147.20 g/mol
Exact Mass147.12
IUPAC Name3-diethylphosphanylpropan-1-amine
SMILESCCP(CC)CCCN
InChIInChI=1S/C7H18NP/c1-3-9(4-2)7-5-6-8/h3-8H2,1-2H3
InChIKeyQIDKAAZWTSKBOX-UHFFFAOYSA-N
XLogP1.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.20
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-diethylphosphanylpropan-1-amine?
The IUPAC name of 3-diethylphosphanylpropan-1-amine (CID 55289887) is 3-diethylphosphanylpropan-1-amine.
What is the SMILES notation for 3-diethylphosphanylpropan-1-amine?
The canonical SMILES for 3-diethylphosphanylpropan-1-amine is CCP(CC)CCCN.
What is the InChIKey of 3-diethylphosphanylpropan-1-amine?
The InChIKey is QIDKAAZWTSKBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18NP/c1-3-9(4-2)7-5-6-8/h3-8H2,1-2H3.
What are the key properties of 3-diethylphosphanylpropan-1-amine?
3-diethylphosphanylpropan-1-amine has a molecular weight of 147.20 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diethylphosphanylpropan-1-amine is sourced from PubChem (CID 55289887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).