N-diethylphosphanylpropan-1-amine

C7H18NP — CID 13159493

IUPACN-diethylphosphanylpropan-1-amine
SMILESCCCNP(CC)CC
InChIInChI=1S/C7H18NP/c1-4-7-8-9(5-2)6-3/h8H,4-7H2,1-3H3
InChIKeyFAFHERAMZKFEMD-UHFFFAOYSA-N
MW147.20 g/mol
LogP2.42
Rot. Bonds5

About N-diethylphosphanylpropan-1-amine

N-diethylphosphanylpropan-1-amine (PubChem CID 13159493) has the molecular formula C7H18NP and a molecular weight of 147.20 g/mol. Its IUPAC name is N-diethylphosphanylpropan-1-amine.

Molecular Properties

Compound NameN-diethylphosphanylpropan-1-amine
PubChem CID13159493
Molecular FormulaC7H18NP
Molecular Weight147.20 g/mol
Exact Mass147.12
IUPAC NameN-diethylphosphanylpropan-1-amine
SMILESCCCNP(CC)CC
InChIInChI=1S/C7H18NP/c1-4-7-8-9(5-2)6-3/h8H,4-7H2,1-3H3
InChIKeyFAFHERAMZKFEMD-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 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 ≤ 52.42
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 N-diethylphosphanylpropan-1-amine?
The IUPAC name of N-diethylphosphanylpropan-1-amine (CID 13159493) is N-diethylphosphanylpropan-1-amine.
What is the SMILES notation for N-diethylphosphanylpropan-1-amine?
The canonical SMILES for N-diethylphosphanylpropan-1-amine is CCCNP(CC)CC.
What is the InChIKey of N-diethylphosphanylpropan-1-amine?
The InChIKey is FAFHERAMZKFEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18NP/c1-4-7-8-9(5-2)6-3/h8H,4-7H2,1-3H3.
What are the key properties of N-diethylphosphanylpropan-1-amine?
N-diethylphosphanylpropan-1-amine has a molecular weight of 147.20 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-diethylphosphanylpropan-1-amine is sourced from PubChem (CID 13159493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).