1,6-dimorpholin-4-yl-N-(3-morpholin-4-ylpropyl)hexan-3-amine

C21H42N4O3 — CID 173040074

IUPAC1,6-dimorpholin-4-yl-N-(3-morpholin-4-ylpropyl)hexan-3-amine
SMILESC(CNC(CCCN1CCOCC1)CCN1CCOCC1)CN1CCOCC1
InChIInChI=1S/C21H42N4O3/c1(6-23-9-15-26-16-10-23)3-21(4-8-25-13-19-28-20-14-25)22-5-2-7-24-11-17-27-18-12-24/h21-22H,1-20H2
InChIKeyUHNVAALEYMDSCF-UHFFFAOYSA-N
MW398.59 g/mol
LogP0.50
Rot. Bonds12

About 1,6-dimorpholin-4-yl-N-(3-morpholin-4-ylpropyl)hexan-3-amine

1,6-dimorpholin-4-yl-N-(3-morpholin-4-ylpropyl)hexan-3-amine (PubChem CID 173040074) has the molecular formula C21H42N4O3 and a molecular weight of 398.59 g/mol. Its IUPAC name is 1,6-dimorpholin-4-yl-N-(3-morpholin-4-ylpropyl)hexan-3-amine.

Molecular Properties

Compound Name1,6-dimorpholin-4-yl-N-(3-morpholin-4-ylpropyl)hexan-3-amine
PubChem CID173040074
Molecular FormulaC21H42N4O3
Molecular Weight398.59 g/mol
Exact Mass398.33
IUPAC Name1,6-dimorpholin-4-yl-N-(3-morpholin-4-ylpropyl)hexan-3-amine
SMILESC(CNC(CCCN1CCOCC1)CCN1CCOCC1)CN1CCOCC1
InChIInChI=1S/C21H42N4O3/c1(6-23-9-15-26-16-10-23)3-21(4-8-25-13-19-28-20-14-25)22-5-2-7-24-11-17-27-18-12-24/h21-22H,1-20H2
InChIKeyUHNVAALEYMDSCF-UHFFFAOYSA-N
XLogP0.50
TPSA49.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.59
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 1,6-dimorpholin-4-yl-N-(3-morpholin-4-ylpropyl)hexan-3-amine?
The IUPAC name of 1,6-dimorpholin-4-yl-N-(3-morpholin-4-ylpropyl)hexan-3-amine (CID 173040074) is 1,6-dimorpholin-4-yl-N-(3-morpholin-4-ylpropyl)hexan-3-amine.
What is the SMILES notation for 1,6-dimorpholin-4-yl-N-(3-morpholin-4-ylpropyl)hexan-3-amine?
The canonical SMILES for 1,6-dimorpholin-4-yl-N-(3-morpholin-4-ylpropyl)hexan-3-amine is C(CNC(CCCN1CCOCC1)CCN1CCOCC1)CN1CCOCC1.
What is the InChIKey of 1,6-dimorpholin-4-yl-N-(3-morpholin-4-ylpropyl)hexan-3-amine?
The InChIKey is UHNVAALEYMDSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N4O3/c1(6-23-9-15-26-16-10-23)3-21(4-8-25-13-19-28-20-14-25)22-5-2-7-24-11-17-27-18-12-24/h21-22H,1-20H2.
What are the key properties of 1,6-dimorpholin-4-yl-N-(3-morpholin-4-ylpropyl)hexan-3-amine?
1,6-dimorpholin-4-yl-N-(3-morpholin-4-ylpropyl)hexan-3-amine has a molecular weight of 398.59 g/mol, XLogP of 0.50, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimorpholin-4-yl-N-(3-morpholin-4-ylpropyl)hexan-3-amine is sourced from PubChem (CID 173040074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).