N-[(E)-undecan-2-ylideneamino]aniline

C17H28N2 — CID 5356948

IUPACN-[(E)-undecan-2-ylideneamino]aniline
SMILESCCCCCCCCC/C(C)=N/Nc1ccccc1
InChIInChI=1S/C17H28N2/c1-3-4-5-6-7-8-10-13-16(2)18-19-17-14-11-9-12-15-17/h9,11-12,14-15,19H,3-8,10,13H2,1-2H3/b18-16+
InChIKeyWMKJIQIMONQJCM-FBMGVBCBSA-N
MW260.43 g/mol
LogP5.62
Rot. Bonds10

About N-[(E)-undecan-2-ylideneamino]aniline

N-[(E)-undecan-2-ylideneamino]aniline (PubChem CID 5356948) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-[(E)-undecan-2-ylideneamino]aniline.

Molecular Properties

Compound NameN-[(E)-undecan-2-ylideneamino]aniline
PubChem CID5356948
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-[(E)-undecan-2-ylideneamino]aniline
SMILESCCCCCCCCC/C(C)=N/Nc1ccccc1
InChIInChI=1S/C17H28N2/c1-3-4-5-6-7-8-10-13-16(2)18-19-17-14-11-9-12-15-17/h9,11-12,14-15,19H,3-8,10,13H2,1-2H3/b18-16+
InChIKeyWMKJIQIMONQJCM-FBMGVBCBSA-N
XLogP5.62
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.43
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-anilino-4-oxobutan-2-ylidene)amino]dodecanamide
CID 4549541
N-phenylpentacosanamide
CID 19025260
N-phenyloctanethioamide
CID 3767527
N-phenylheptatetracontanamide
CID 150503307
methyl (4E)-4-(phenylhydrazinylidene)pentanoate
CID 5355076
diethyl-[(2Z)-2-(phenylhydrazinylidene)propyl]azanium
CID 6943956
N-[(E)-4,4-dimethylpentan-2-ylideneamino]aniline
CID 14914436
2-(phenylhydrazinylidene)hexanoate
CID 57359440
(6Z)-6-[(4-chlorophenyl)hydrazinylidene]heptanoic acid
CID 134858389
N-[(E)-heptan-2-ylideneamino]-4-phenylbenzamide
CID 54784798
formamide;N-phenylheptanamide
CID 143464966
5-oxo-N-phenylheptadecanamide
CID 3308902

Frequently Asked Questions

What is the IUPAC name of N-[(E)-undecan-2-ylideneamino]aniline?
The IUPAC name of N-[(E)-undecan-2-ylideneamino]aniline (CID 5356948) is N-[(E)-undecan-2-ylideneamino]aniline.
What is the SMILES notation for N-[(E)-undecan-2-ylideneamino]aniline?
The canonical SMILES for N-[(E)-undecan-2-ylideneamino]aniline is CCCCCCCCC/C(C)=N/Nc1ccccc1.
What is the InChIKey of N-[(E)-undecan-2-ylideneamino]aniline?
The InChIKey is WMKJIQIMONQJCM-FBMGVBCBSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-4-5-6-7-8-10-13-16(2)18-19-17-14-11-9-12-15-17/h9,11-12,14-15,19H,3-8,10,13H2,1-2H3/b18-16+.
What are the key properties of N-[(E)-undecan-2-ylideneamino]aniline?
N-[(E)-undecan-2-ylideneamino]aniline has a molecular weight of 260.43 g/mol, XLogP of 5.62, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-undecan-2-ylideneamino]aniline is sourced from PubChem (CID 5356948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).