1-morpholin-4-yl-N,N-bis(1-morpholin-4-ylpropyl)propan-1-amine

C21H42N4O3 — CID 20504828

IUPAC1-morpholin-4-yl-N,N-bis(1-morpholin-4-ylpropyl)propan-1-amine
SMILESCCC(N1CCOCC1)N(C(CC)N1CCOCC1)C(CC)N1CCOCC1
InChIInChI=1S/C21H42N4O3/c1-4-19(22-7-13-26-14-8-22)25(20(5-2)23-9-15-27-16-10-23)21(6-3)24-11-17-28-18-12-24/h19-21H,4-18H2,1-3H3
InChIKeyKMURNAVOGVVYME-UHFFFAOYSA-N
MW398.59 g/mol
LogP1.49
Rot. Bonds9

About 1-morpholin-4-yl-N,N-bis(1-morpholin-4-ylpropyl)propan-1-amine

1-morpholin-4-yl-N,N-bis(1-morpholin-4-ylpropyl)propan-1-amine (PubChem CID 20504828) has the molecular formula C21H42N4O3 and a molecular weight of 398.59 g/mol. Its IUPAC name is 1-morpholin-4-yl-N,N-bis(1-morpholin-4-ylpropyl)propan-1-amine.

Molecular Properties

Compound Name1-morpholin-4-yl-N,N-bis(1-morpholin-4-ylpropyl)propan-1-amine
PubChem CID20504828
Molecular FormulaC21H42N4O3
Molecular Weight398.59 g/mol
Exact Mass398.33
IUPAC Name1-morpholin-4-yl-N,N-bis(1-morpholin-4-ylpropyl)propan-1-amine
SMILESCCC(N1CCOCC1)N(C(CC)N1CCOCC1)C(CC)N1CCOCC1
InChIInChI=1S/C21H42N4O3/c1-4-19(22-7-13-26-14-8-22)25(20(5-2)23-9-15-27-16-10-23)21(6-3)24-11-17-28-18-12-24/h19-21H,4-18H2,1-3H3
InChIKeyKMURNAVOGVVYME-UHFFFAOYSA-N
XLogP1.49
TPSA40.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.59
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-N,N-bis(1-morpholin-4-ylpropyl)propan-1-amine?
The IUPAC name of 1-morpholin-4-yl-N,N-bis(1-morpholin-4-ylpropyl)propan-1-amine (CID 20504828) is 1-morpholin-4-yl-N,N-bis(1-morpholin-4-ylpropyl)propan-1-amine.
What is the SMILES notation for 1-morpholin-4-yl-N,N-bis(1-morpholin-4-ylpropyl)propan-1-amine?
The canonical SMILES for 1-morpholin-4-yl-N,N-bis(1-morpholin-4-ylpropyl)propan-1-amine is CCC(N1CCOCC1)N(C(CC)N1CCOCC1)C(CC)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-N,N-bis(1-morpholin-4-ylpropyl)propan-1-amine?
The InChIKey is KMURNAVOGVVYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N4O3/c1-4-19(22-7-13-26-14-8-22)25(20(5-2)23-9-15-27-16-10-23)21(6-3)24-11-17-28-18-12-24/h19-21H,4-18H2,1-3H3.
What are the key properties of 1-morpholin-4-yl-N,N-bis(1-morpholin-4-ylpropyl)propan-1-amine?
1-morpholin-4-yl-N,N-bis(1-morpholin-4-ylpropyl)propan-1-amine has a molecular weight of 398.59 g/mol, XLogP of 1.49, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-N,N-bis(1-morpholin-4-ylpropyl)propan-1-amine is sourced from PubChem (CID 20504828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).