1-[benzyl-[(Z)-benzylideneamino]amino]propan-2-ol

C17H20N2O — CID 23265397

IUPAC1-[benzyl-[(Z)-benzylideneamino]amino]propan-2-ol
SMILESCC(O)CN(Cc1ccccc1)/N=C\c1ccccc1
InChIInChI=1S/C17H20N2O/c1-15(20)13-19(14-17-10-6-3-7-11-17)18-12-16-8-4-2-5-9-16/h2-12,15,20H,13-14H2,1H3/b18-12-
InChIKeyNWZBERFTNAWBGB-PDGQHHTCSA-N
MW268.36 g/mol
LogP2.90
Rot. Bonds6

About 1-[benzyl-[(Z)-benzylideneamino]amino]propan-2-ol

1-[benzyl-[(Z)-benzylideneamino]amino]propan-2-ol (PubChem CID 23265397) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[benzyl-[(Z)-benzylideneamino]amino]propan-2-ol.

Molecular Properties

Compound Name1-[benzyl-[(Z)-benzylideneamino]amino]propan-2-ol
PubChem CID23265397
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-[benzyl-[(Z)-benzylideneamino]amino]propan-2-ol
SMILESCC(O)CN(Cc1ccccc1)/N=C\c1ccccc1
InChIInChI=1S/C17H20N2O/c1-15(20)13-19(14-17-10-6-3-7-11-17)18-12-16-8-4-2-5-9-16/h2-12,15,20H,13-14H2,1H3/b18-12-
InChIKeyNWZBERFTNAWBGB-PDGQHHTCSA-N
XLogP2.90
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 1-[benzyl-[(Z)-benzylideneamino]amino]propan-2-ol?
The IUPAC name of 1-[benzyl-[(Z)-benzylideneamino]amino]propan-2-ol (CID 23265397) is 1-[benzyl-[(Z)-benzylideneamino]amino]propan-2-ol.
What is the SMILES notation for 1-[benzyl-[(Z)-benzylideneamino]amino]propan-2-ol?
The canonical SMILES for 1-[benzyl-[(Z)-benzylideneamino]amino]propan-2-ol is CC(O)CN(Cc1ccccc1)/N=C\c1ccccc1.
What is the InChIKey of 1-[benzyl-[(Z)-benzylideneamino]amino]propan-2-ol?
The InChIKey is NWZBERFTNAWBGB-PDGQHHTCSA-N. The full InChI is InChI=1S/C17H20N2O/c1-15(20)13-19(14-17-10-6-3-7-11-17)18-12-16-8-4-2-5-9-16/h2-12,15,20H,13-14H2,1H3/b18-12-.
What are the key properties of 1-[benzyl-[(Z)-benzylideneamino]amino]propan-2-ol?
1-[benzyl-[(Z)-benzylideneamino]amino]propan-2-ol has a molecular weight of 268.36 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl-[(Z)-benzylideneamino]amino]propan-2-ol is sourced from PubChem (CID 23265397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).