N-(dimethylphosphorylmethyl)-N-ethylpropan-1-amine

C8H20NOP — CID 88945023

IUPACN-(dimethylphosphorylmethyl)-N-ethylpropan-1-amine
SMILESCCCN(CC)CP(C)(C)=O
InChIInChI=1S/C8H20NOP/c1-5-7-9(6-2)8-11(3,4)10/h5-8H2,1-4H3
InChIKeyNHUYEPURXYTFIY-UHFFFAOYSA-N
MW177.23 g/mol
LogP2.30
Rot. Bonds5

About N-(dimethylphosphorylmethyl)-N-ethylpropan-1-amine

N-(dimethylphosphorylmethyl)-N-ethylpropan-1-amine (PubChem CID 88945023) has the molecular formula C8H20NOP and a molecular weight of 177.23 g/mol. Its IUPAC name is N-(dimethylphosphorylmethyl)-N-ethylpropan-1-amine.

Molecular Properties

Compound NameN-(dimethylphosphorylmethyl)-N-ethylpropan-1-amine
PubChem CID88945023
Molecular FormulaC8H20NOP
Molecular Weight177.23 g/mol
Exact Mass177.13
IUPAC NameN-(dimethylphosphorylmethyl)-N-ethylpropan-1-amine
SMILESCCCN(CC)CP(C)(C)=O
InChIInChI=1S/C8H20NOP/c1-5-7-9(6-2)8-11(3,4)10/h5-8H2,1-4H3
InChIKeyNHUYEPURXYTFIY-UHFFFAOYSA-N
XLogP2.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.23
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(dimethylphosphorylmethyl)-N-ethylpropan-1-amine?
The IUPAC name of N-(dimethylphosphorylmethyl)-N-ethylpropan-1-amine (CID 88945023) is N-(dimethylphosphorylmethyl)-N-ethylpropan-1-amine.
What is the SMILES notation for N-(dimethylphosphorylmethyl)-N-ethylpropan-1-amine?
The canonical SMILES for N-(dimethylphosphorylmethyl)-N-ethylpropan-1-amine is CCCN(CC)CP(C)(C)=O.
What is the InChIKey of N-(dimethylphosphorylmethyl)-N-ethylpropan-1-amine?
The InChIKey is NHUYEPURXYTFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20NOP/c1-5-7-9(6-2)8-11(3,4)10/h5-8H2,1-4H3.
What are the key properties of N-(dimethylphosphorylmethyl)-N-ethylpropan-1-amine?
N-(dimethylphosphorylmethyl)-N-ethylpropan-1-amine has a molecular weight of 177.23 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylphosphorylmethyl)-N-ethylpropan-1-amine is sourced from PubChem (CID 88945023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).