N,N'-bis(2-morpholin-4-ylethyl)-N'-[3-(2-morpholin-4-ylethylamino)propyl]propane-1,3-diamine

C24H50N6O3 — CID 59841341

IUPACN,N'-bis(2-morpholin-4-ylethyl)-N'-[3-(2-morpholin-4-ylethylamino)propyl]propane-1,3-diamine
SMILESC(CNCCN1CCOCC1)CN(CCCNCCN1CCOCC1)CCN1CCOCC1
InChIInChI=1S/C24H50N6O3/c1(3-25-5-9-28-13-19-31-20-14-28)7-27(11-12-30-17-23-33-24-18-30)8-2-4-26-6-10-29-15-21-32-22-16-29/h25-26H,1-24H2
InChIKeyDUZSXWMONFYRSW-UHFFFAOYSA-N
MW470.70 g/mol
LogP-0.76
Rot. Bonds17

About N,N'-bis(2-morpholin-4-ylethyl)-N'-[3-(2-morpholin-4-ylethylamino)propyl]propane-1,3-diamine

N,N'-bis(2-morpholin-4-ylethyl)-N'-[3-(2-morpholin-4-ylethylamino)propyl]propane-1,3-diamine (PubChem CID 59841341) has the molecular formula C24H50N6O3 and a molecular weight of 470.70 g/mol. Its IUPAC name is N,N'-bis(2-morpholin-4-ylethyl)-N'-[3-(2-morpholin-4-ylethylamino)propyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-bis(2-morpholin-4-ylethyl)-N'-[3-(2-morpholin-4-ylethylamino)propyl]propane-1,3-diamine
PubChem CID59841341
Molecular FormulaC24H50N6O3
Molecular Weight470.70 g/mol
Exact Mass470.39
IUPAC NameN,N'-bis(2-morpholin-4-ylethyl)-N'-[3-(2-morpholin-4-ylethylamino)propyl]propane-1,3-diamine
SMILESC(CNCCN1CCOCC1)CN(CCCNCCN1CCOCC1)CCN1CCOCC1
InChIInChI=1S/C24H50N6O3/c1(3-25-5-9-28-13-19-31-20-14-28)7-27(11-12-30-17-23-33-24-18-30)8-2-4-26-6-10-29-15-21-32-22-16-29/h25-26H,1-24H2
InChIKeyDUZSXWMONFYRSW-UHFFFAOYSA-N
XLogP-0.76
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.70
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2-morpholin-4-ylethyl)-N'-[3-(2-morpholin-4-ylethylamino)propyl]propane-1,3-diamine?
The IUPAC name of N,N'-bis(2-morpholin-4-ylethyl)-N'-[3-(2-morpholin-4-ylethylamino)propyl]propane-1,3-diamine (CID 59841341) is N,N'-bis(2-morpholin-4-ylethyl)-N'-[3-(2-morpholin-4-ylethylamino)propyl]propane-1,3-diamine.
What is the SMILES notation for N,N'-bis(2-morpholin-4-ylethyl)-N'-[3-(2-morpholin-4-ylethylamino)propyl]propane-1,3-diamine?
The canonical SMILES for N,N'-bis(2-morpholin-4-ylethyl)-N'-[3-(2-morpholin-4-ylethylamino)propyl]propane-1,3-diamine is C(CNCCN1CCOCC1)CN(CCCNCCN1CCOCC1)CCN1CCOCC1.
What is the InChIKey of N,N'-bis(2-morpholin-4-ylethyl)-N'-[3-(2-morpholin-4-ylethylamino)propyl]propane-1,3-diamine?
The InChIKey is DUZSXWMONFYRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50N6O3/c1(3-25-5-9-28-13-19-31-20-14-28)7-27(11-12-30-17-23-33-24-18-30)8-2-4-26-6-10-29-15-21-32-22-16-29/h25-26H,1-24H2.
What are the key properties of N,N'-bis(2-morpholin-4-ylethyl)-N'-[3-(2-morpholin-4-ylethylamino)propyl]propane-1,3-diamine?
N,N'-bis(2-morpholin-4-ylethyl)-N'-[3-(2-morpholin-4-ylethylamino)propyl]propane-1,3-diamine has a molecular weight of 470.70 g/mol, XLogP of -0.76, 17 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-morpholin-4-ylethyl)-N'-[3-(2-morpholin-4-ylethylamino)propyl]propane-1,3-diamine is sourced from PubChem (CID 59841341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).