ethane;N-[(Z)-1-phenylethylideneamino]aniline

C18H26N2 — CID 91599108

IUPACethane;N-[(Z)-1-phenylethylideneamino]aniline
SMILESC/C(=N/Nc1ccccc1)c1ccccc1.CC.CC
InChIInChI=1S/C14H14N2.2C2H6/c1-12(13-8-4-2-5-9-13)15-16-14-10-6-3-7-11-14;2*1-2/h2-11,16H,1H3;2*1-2H3/b15-12-;;
InChIKeyKCKISJQMIILTNF-ZABRKXACSA-N
MW270.42 g/mol
LogP5.58
Rot. Bonds3

About ethane;N-[(Z)-1-phenylethylideneamino]aniline

ethane;N-[(Z)-1-phenylethylideneamino]aniline (PubChem CID 91599108) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is ethane;N-[(Z)-1-phenylethylideneamino]aniline.

Molecular Properties

Compound Nameethane;N-[(Z)-1-phenylethylideneamino]aniline
PubChem CID91599108
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Nameethane;N-[(Z)-1-phenylethylideneamino]aniline
SMILESC/C(=N/Nc1ccccc1)c1ccccc1.CC.CC
InChIInChI=1S/C14H14N2.2C2H6/c1-12(13-8-4-2-5-9-13)15-16-14-10-6-3-7-11-14;2*1-2/h2-11,16H,1H3;2*1-2H3/b15-12-;;
InChIKeyKCKISJQMIILTNF-ZABRKXACSA-N
XLogP5.58
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.42
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Related Compounds

4-chloro-N-(1-phenylethylideneamino)aniline
CID 78572712
N-[4-(N-anilino-C-methylcarbonimidoyl)phenyl]benzamide
CID 3561745
N-(1-pyridin-1-ium-3-ylethylideneamino)aniline chloride
CID 136666115
4-nitro-N-[(Z)-1-phenylethylideneamino]aniline
CID 6104616
(1E)-N-phenylethanehydrazonoyl fluoride
CID 118400249
(Z)-N-phenylbenzenecarbohydrazonoyl chloride
CID 7290563
2-(N-anilino-C-methylcarbonimidoyl)benzoic acid
CID 2768362
N-[(E)-1-phenylethylideneamino]-2,6-dipyridin-2-ylpyridin-4-amine
CID 177396437
N-[(E)-1-[3,5-bis(difluoromethoxy)phenyl]ethylideneamino]aniline
CID 121005385
CID 154709621
CID 154709621
1-phenyl-3-[(Z)-1-phenylethylideneamino]urea
CID 5407235
4-[(E)-N-(3-carboxyanilino)-C-methylcarbonimidoyl]phenolate
CID 135775244

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(Z)-1-phenylethylideneamino]aniline?
The IUPAC name of ethane;N-[(Z)-1-phenylethylideneamino]aniline (CID 91599108) is ethane;N-[(Z)-1-phenylethylideneamino]aniline.
What is the SMILES notation for ethane;N-[(Z)-1-phenylethylideneamino]aniline?
The canonical SMILES for ethane;N-[(Z)-1-phenylethylideneamino]aniline is C/C(=N/Nc1ccccc1)c1ccccc1.CC.CC.
What is the InChIKey of ethane;N-[(Z)-1-phenylethylideneamino]aniline?
The InChIKey is KCKISJQMIILTNF-ZABRKXACSA-N. The full InChI is InChI=1S/C14H14N2.2C2H6/c1-12(13-8-4-2-5-9-13)15-16-14-10-6-3-7-11-14;2*1-2/h2-11,16H,1H3;2*1-2H3/b15-12-;;.
What are the key properties of ethane;N-[(Z)-1-phenylethylideneamino]aniline?
ethane;N-[(Z)-1-phenylethylideneamino]aniline has a molecular weight of 270.42 g/mol, XLogP of 5.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(Z)-1-phenylethylideneamino]aniline is sourced from PubChem (CID 91599108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).