N-[1-[1-[1-[1-(dipropylamino)ethoxy]ethyl-propylamino]ethoxy]ethyl]-N-propylpropan-1-amine

C23H51N3O2 — CID 19822681

IUPACN-[1-[1-[1-[1-(dipropylamino)ethoxy]ethyl-propylamino]ethoxy]ethyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)C(C)OC(C)N(CCC)C(C)OC(C)N(CCC)CCC
InChIInChI=1S/C23H51N3O2/c1-10-15-24(16-11-2)20(6)27-22(8)26(19-14-5)23(9)28-21(7)25(17-12-3)18-13-4/h20-23H,10-19H2,1-9H3
InChIKeyQVNACIAWAGGWMK-UHFFFAOYSA-N
MW401.68 g/mol
LogP5.36
Rot. Bonds18

About N-[1-[1-[1-[1-(dipropylamino)ethoxy]ethyl-propylamino]ethoxy]ethyl]-N-propylpropan-1-amine

N-[1-[1-[1-[1-(dipropylamino)ethoxy]ethyl-propylamino]ethoxy]ethyl]-N-propylpropan-1-amine (PubChem CID 19822681) has the molecular formula C23H51N3O2 and a molecular weight of 401.68 g/mol. Its IUPAC name is N-[1-[1-[1-[1-(dipropylamino)ethoxy]ethyl-propylamino]ethoxy]ethyl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[1-[1-[1-[1-(dipropylamino)ethoxy]ethyl-propylamino]ethoxy]ethyl]-N-propylpropan-1-amine
PubChem CID19822681
Molecular FormulaC23H51N3O2
Molecular Weight401.68 g/mol
Exact Mass401.40
IUPAC NameN-[1-[1-[1-[1-(dipropylamino)ethoxy]ethyl-propylamino]ethoxy]ethyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)C(C)OC(C)N(CCC)C(C)OC(C)N(CCC)CCC
InChIInChI=1S/C23H51N3O2/c1-10-15-24(16-11-2)20(6)27-22(8)26(19-14-5)23(9)28-21(7)25(17-12-3)18-13-4/h20-23H,10-19H2,1-9H3
InChIKeyQVNACIAWAGGWMK-UHFFFAOYSA-N
XLogP5.36
TPSA28.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.68
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[1-[1-(dipropylamino)ethoxy]ethyl-propylamino]ethoxy]ethyl]-N-propylpropan-1-amine?
The IUPAC name of N-[1-[1-[1-[1-(dipropylamino)ethoxy]ethyl-propylamino]ethoxy]ethyl]-N-propylpropan-1-amine (CID 19822681) is N-[1-[1-[1-[1-(dipropylamino)ethoxy]ethyl-propylamino]ethoxy]ethyl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[1-[1-[1-[1-(dipropylamino)ethoxy]ethyl-propylamino]ethoxy]ethyl]-N-propylpropan-1-amine?
The canonical SMILES for N-[1-[1-[1-[1-(dipropylamino)ethoxy]ethyl-propylamino]ethoxy]ethyl]-N-propylpropan-1-amine is CCCN(CCC)C(C)OC(C)N(CCC)C(C)OC(C)N(CCC)CCC.
What is the InChIKey of N-[1-[1-[1-[1-(dipropylamino)ethoxy]ethyl-propylamino]ethoxy]ethyl]-N-propylpropan-1-amine?
The InChIKey is QVNACIAWAGGWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H51N3O2/c1-10-15-24(16-11-2)20(6)27-22(8)26(19-14-5)23(9)28-21(7)25(17-12-3)18-13-4/h20-23H,10-19H2,1-9H3.
What are the key properties of N-[1-[1-[1-[1-(dipropylamino)ethoxy]ethyl-propylamino]ethoxy]ethyl]-N-propylpropan-1-amine?
N-[1-[1-[1-[1-(dipropylamino)ethoxy]ethyl-propylamino]ethoxy]ethyl]-N-propylpropan-1-amine has a molecular weight of 401.68 g/mol, XLogP of 5.36, 18 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[1-[1-(dipropylamino)ethoxy]ethyl-propylamino]ethoxy]ethyl]-N-propylpropan-1-amine is sourced from PubChem (CID 19822681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).