2-N,2-N'-bis(benzylideneamino)oxane-2,2-diamine

C19H22N4O — CID 87242135

IUPAC2-N,2-N'-bis(benzylideneamino)oxane-2,2-diamine
SMILESC(=NNC1(NN=Cc2ccccc2)CCCCO1)c1ccccc1
InChIInChI=1S/C19H22N4O/c1-3-9-17(10-4-1)15-20-22-19(13-7-8-14-24-19)23-21-16-18-11-5-2-6-12-18/h1-6,9-12,15-16,22-23H,7-8,13-14H2
InChIKeyHABAEEYXYPCDFG-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.09
Rot. Bonds6

About 2-N,2-N'-bis(benzylideneamino)oxane-2,2-diamine

2-N,2-N'-bis(benzylideneamino)oxane-2,2-diamine (PubChem CID 87242135) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-N,2-N'-bis(benzylideneamino)oxane-2,2-diamine.

Molecular Properties

Compound Name2-N,2-N'-bis(benzylideneamino)oxane-2,2-diamine
PubChem CID87242135
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name2-N,2-N'-bis(benzylideneamino)oxane-2,2-diamine
SMILESC(=NNC1(NN=Cc2ccccc2)CCCCO1)c1ccccc1
InChIInChI=1S/C19H22N4O/c1-3-9-17(10-4-1)15-20-22-19(13-7-8-14-24-19)23-21-16-18-11-5-2-6-12-18/h1-6,9-12,15-16,22-23H,7-8,13-14H2
InChIKeyHABAEEYXYPCDFG-UHFFFAOYSA-N
XLogP3.09
TPSA58.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N'-bis(benzylideneamino)oxane-2,2-diamine?
The IUPAC name of 2-N,2-N'-bis(benzylideneamino)oxane-2,2-diamine (CID 87242135) is 2-N,2-N'-bis(benzylideneamino)oxane-2,2-diamine.
What is the SMILES notation for 2-N,2-N'-bis(benzylideneamino)oxane-2,2-diamine?
The canonical SMILES for 2-N,2-N'-bis(benzylideneamino)oxane-2,2-diamine is C(=NNC1(NN=Cc2ccccc2)CCCCO1)c1ccccc1.
What is the InChIKey of 2-N,2-N'-bis(benzylideneamino)oxane-2,2-diamine?
The InChIKey is HABAEEYXYPCDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-3-9-17(10-4-1)15-20-22-19(13-7-8-14-24-19)23-21-16-18-11-5-2-6-12-18/h1-6,9-12,15-16,22-23H,7-8,13-14H2.
What are the key properties of 2-N,2-N'-bis(benzylideneamino)oxane-2,2-diamine?
2-N,2-N'-bis(benzylideneamino)oxane-2,2-diamine has a molecular weight of 322.41 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N'-bis(benzylideneamino)oxane-2,2-diamine is sourced from PubChem (CID 87242135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).