N-[1-(diethylamino)ethoxy]propan-1-amine

C9H22N2O — CID 173191930

IUPACN-[1-(diethylamino)ethoxy]propan-1-amine
SMILESCCCNOC(C)N(CC)CC
InChIInChI=1S/C9H22N2O/c1-5-8-10-12-9(4)11(6-2)7-3/h9-10H,5-8H2,1-4H3
InChIKeyFKFKKNLHFFVVGZ-UHFFFAOYSA-N
MW174.29 g/mol
LogP1.61
Rot. Bonds7

About N-[1-(diethylamino)ethoxy]propan-1-amine

N-[1-(diethylamino)ethoxy]propan-1-amine (PubChem CID 173191930) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is N-[1-(diethylamino)ethoxy]propan-1-amine.

Molecular Properties

Compound NameN-[1-(diethylamino)ethoxy]propan-1-amine
PubChem CID173191930
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC NameN-[1-(diethylamino)ethoxy]propan-1-amine
SMILESCCCNOC(C)N(CC)CC
InChIInChI=1S/C9H22N2O/c1-5-8-10-12-9(4)11(6-2)7-3/h9-10H,5-8H2,1-4H3
InChIKeyFKFKKNLHFFVVGZ-UHFFFAOYSA-N
XLogP1.61
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(diethylamino)ethoxy]propan-1-amine?
The IUPAC name of N-[1-(diethylamino)ethoxy]propan-1-amine (CID 173191930) is N-[1-(diethylamino)ethoxy]propan-1-amine.
What is the SMILES notation for N-[1-(diethylamino)ethoxy]propan-1-amine?
The canonical SMILES for N-[1-(diethylamino)ethoxy]propan-1-amine is CCCNOC(C)N(CC)CC.
What is the InChIKey of N-[1-(diethylamino)ethoxy]propan-1-amine?
The InChIKey is FKFKKNLHFFVVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O/c1-5-8-10-12-9(4)11(6-2)7-3/h9-10H,5-8H2,1-4H3.
What are the key properties of N-[1-(diethylamino)ethoxy]propan-1-amine?
N-[1-(diethylamino)ethoxy]propan-1-amine has a molecular weight of 174.29 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(diethylamino)ethoxy]propan-1-amine is sourced from PubChem (CID 173191930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).