1-N'-ethyl-1-N",2-dimorpholin-4-yl-1-N'-piperidin-1-yl-1-N"-propylethane-1,1,1-triamine

C20H42N6O2 — CID 57118991

IUPAC1-N'-ethyl-1-N",2-dimorpholin-4-yl-1-N'-piperidin-1-yl-1-N"-propylethane-1,1,1-triamine
SMILESCCCN(N1CCOCC1)C(N)(CN1CCOCC1)N(CC)N1CCCCC1
InChIInChI=1S/C20H42N6O2/c1-3-8-26(24-13-17-28-18-14-24)20(21,19-22-11-15-27-16-12-22)25(4-2)23-9-6-5-7-10-23/h3-19,21H2,1-2H3
InChIKeyYRPLAHVIIDBLJD-UHFFFAOYSA-N
MW398.60 g/mol
LogP0.61
Rot. Bonds9

About 1-N'-ethyl-1-N",2-dimorpholin-4-yl-1-N'-piperidin-1-yl-1-N"-propylethane-1,1,1-triamine

1-N'-ethyl-1-N",2-dimorpholin-4-yl-1-N'-piperidin-1-yl-1-N"-propylethane-1,1,1-triamine (PubChem CID 57118991) has the molecular formula C20H42N6O2 and a molecular weight of 398.60 g/mol. Its IUPAC name is 1-N'-ethyl-1-N",2-dimorpholin-4-yl-1-N'-piperidin-1-yl-1-N"-propylethane-1,1,1-triamine.

Molecular Properties

Compound Name1-N'-ethyl-1-N",2-dimorpholin-4-yl-1-N'-piperidin-1-yl-1-N"-propylethane-1,1,1-triamine
PubChem CID57118991
Molecular FormulaC20H42N6O2
Molecular Weight398.60 g/mol
Exact Mass398.34
IUPAC Name1-N'-ethyl-1-N",2-dimorpholin-4-yl-1-N'-piperidin-1-yl-1-N"-propylethane-1,1,1-triamine
SMILESCCCN(N1CCOCC1)C(N)(CN1CCOCC1)N(CC)N1CCCCC1
InChIInChI=1S/C20H42N6O2/c1-3-8-26(24-13-17-28-18-14-24)20(21,19-22-11-15-27-16-12-22)25(4-2)23-9-6-5-7-10-23/h3-19,21H2,1-2H3
InChIKeyYRPLAHVIIDBLJD-UHFFFAOYSA-N
XLogP0.61
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.60
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Ethyl-1,3,5-trimorpholin-4-yl-1,3,5-triazinan-2-yl)ethanamine
CID 17938116
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CID 57122865
N'-(2-amino-1-morpholin-4-ylethyl)-1-piperidin-1-yl-N-(2-piperidin-1-ylethyl)propane-1,3-diamine
CID 57161988
1-N,1-N'-diethyl-1-N"-(1-methylpiperidin-1-ium-1-yl)-3-morpholin-4-yl-1-N-piperidin-1-yl-1-N"-propyl-1-N'-pyrrolidin-1-ylpropane-1,1,1,3-tetramine
CID 91461042
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CID 140974046
4-Piperazin-1-yl-3-piperidin-1-yl-3-pyrrolidin-1-ylmorpholine
CID 140984973
4-Piperazin-1-yl-3-piperidin-1-yl-3-pyrrolidin-1-ylmorpholin-2-amine
CID 140995718
4-(1-Piperazin-1-yl-2-piperidin-1-ylpyrrolidin-2-yl)morpholine
CID 140997470
4-(1-Piperidin-1-ylpiperazin-2-yl)morpholine
CID 141019308
3-Piperazin-1-yl-4-piperidin-1-yl-3-pyrrolidin-1-ylmorpholine
CID 141020606
3-Piperazin-1-yl-3-piperidin-1-yl-4-pyrrolidin-1-ylmorpholine
CID 141089883
4-(2-Piperidin-1-yl-2-pyrrolidin-1-ylpiperazin-1-yl)morpholine
CID 141198749

Frequently Asked Questions

What is the IUPAC name of 1-N'-ethyl-1-N",2-dimorpholin-4-yl-1-N'-piperidin-1-yl-1-N"-propylethane-1,1,1-triamine?
The IUPAC name of 1-N'-ethyl-1-N",2-dimorpholin-4-yl-1-N'-piperidin-1-yl-1-N"-propylethane-1,1,1-triamine (CID 57118991) is 1-N'-ethyl-1-N",2-dimorpholin-4-yl-1-N'-piperidin-1-yl-1-N"-propylethane-1,1,1-triamine.
What is the SMILES notation for 1-N'-ethyl-1-N",2-dimorpholin-4-yl-1-N'-piperidin-1-yl-1-N"-propylethane-1,1,1-triamine?
The canonical SMILES for 1-N'-ethyl-1-N",2-dimorpholin-4-yl-1-N'-piperidin-1-yl-1-N"-propylethane-1,1,1-triamine is CCCN(N1CCOCC1)C(N)(CN1CCOCC1)N(CC)N1CCCCC1.
What is the InChIKey of 1-N'-ethyl-1-N",2-dimorpholin-4-yl-1-N'-piperidin-1-yl-1-N"-propylethane-1,1,1-triamine?
The InChIKey is YRPLAHVIIDBLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42N6O2/c1-3-8-26(24-13-17-28-18-14-24)20(21,19-22-11-15-27-16-12-22)25(4-2)23-9-6-5-7-10-23/h3-19,21H2,1-2H3.
What are the key properties of 1-N'-ethyl-1-N",2-dimorpholin-4-yl-1-N'-piperidin-1-yl-1-N"-propylethane-1,1,1-triamine?
1-N'-ethyl-1-N",2-dimorpholin-4-yl-1-N'-piperidin-1-yl-1-N"-propylethane-1,1,1-triamine has a molecular weight of 398.60 g/mol, XLogP of 0.61, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-ethyl-1-N",2-dimorpholin-4-yl-1-N'-piperidin-1-yl-1-N"-propylethane-1,1,1-triamine is sourced from PubChem (CID 57118991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).