6-morpholin-4-yl-4,4-diphenylhexan-3-imine

C22H28N2O — CID 3050616

IUPAC6-morpholin-4-yl-4,4-diphenylhexan-3-imine
SMILES[H]/N=C(\CC)C(CCN1CCOCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28N2O/c1-2-21(23)22(19-9-5-3-6-10-19,20-11-7-4-8-12-20)13-14-24-15-17-25-18-16-24/h3-12,23H,2,13-18H2,1H3/b23-21+
InChIKeyUXHYBOXJCZJLRG-XTQSDGFTSA-N
MW336.48 g/mol
LogP4.12
Rot. Bonds7

About 6-morpholin-4-yl-4,4-diphenylhexan-3-imine

6-morpholin-4-yl-4,4-diphenylhexan-3-imine (PubChem CID 3050616) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is 6-morpholin-4-yl-4,4-diphenylhexan-3-imine.

Molecular Properties

Compound Name6-morpholin-4-yl-4,4-diphenylhexan-3-imine
PubChem CID3050616
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name6-morpholin-4-yl-4,4-diphenylhexan-3-imine
SMILES[H]/N=C(\CC)C(CCN1CCOCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28N2O/c1-2-21(23)22(19-9-5-3-6-10-19,20-11-7-4-8-12-20)13-14-24-15-17-25-18-16-24/h3-12,23H,2,13-18H2,1H3/b23-21+
InChIKeyUXHYBOXJCZJLRG-XTQSDGFTSA-N
XLogP4.12
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-4,4-diphenylhexan-3-imine?
The IUPAC name of 6-morpholin-4-yl-4,4-diphenylhexan-3-imine (CID 3050616) is 6-morpholin-4-yl-4,4-diphenylhexan-3-imine.
What is the SMILES notation for 6-morpholin-4-yl-4,4-diphenylhexan-3-imine?
The canonical SMILES for 6-morpholin-4-yl-4,4-diphenylhexan-3-imine is [H]/N=C(\CC)C(CCN1CCOCC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 6-morpholin-4-yl-4,4-diphenylhexan-3-imine?
The InChIKey is UXHYBOXJCZJLRG-XTQSDGFTSA-N. The full InChI is InChI=1S/C22H28N2O/c1-2-21(23)22(19-9-5-3-6-10-19,20-11-7-4-8-12-20)13-14-24-15-17-25-18-16-24/h3-12,23H,2,13-18H2,1H3/b23-21+.
What are the key properties of 6-morpholin-4-yl-4,4-diphenylhexan-3-imine?
6-morpholin-4-yl-4,4-diphenylhexan-3-imine has a molecular weight of 336.48 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-4,4-diphenylhexan-3-imine is sourced from PubChem (CID 3050616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).