N-[(E)-4,4-dimethylpentan-2-ylideneamino]aniline

C13H20N2 — CID 14914436

IUPACN-[(E)-4,4-dimethylpentan-2-ylideneamino]aniline
SMILESC/C(CC(C)(C)C)=N\Nc1ccccc1
InChIInChI=1S/C13H20N2/c1-11(10-13(2,3)4)14-15-12-8-6-5-7-9-12/h5-9,15H,10H2,1-4H3/b14-11+
InChIKeySDQXVNXAIAWFTR-SDNWHVSQSA-N
MW204.32 g/mol
LogP3.91
Rot. Bonds3

About N-[(E)-4,4-dimethylpentan-2-ylideneamino]aniline

N-[(E)-4,4-dimethylpentan-2-ylideneamino]aniline (PubChem CID 14914436) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-[(E)-4,4-dimethylpentan-2-ylideneamino]aniline.

Molecular Properties

Compound NameN-[(E)-4,4-dimethylpentan-2-ylideneamino]aniline
PubChem CID14914436
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-[(E)-4,4-dimethylpentan-2-ylideneamino]aniline
SMILESC/C(CC(C)(C)C)=N\Nc1ccccc1
InChIInChI=1S/C13H20N2/c1-11(10-13(2,3)4)14-15-12-8-6-5-7-9-12/h5-9,15H,10H2,1-4H3/b14-11+
InChIKeySDQXVNXAIAWFTR-SDNWHVSQSA-N
XLogP3.91
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.91
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

N-(3,3-dimethylbutan-2-ylideneamino)aniline
CID 85176493
diethyl-[(2Z)-2-(phenylhydrazinylidene)propyl]azanium
CID 6943956
N-[(E)-undecan-2-ylideneamino]aniline
CID 5356948
(1E)-N-phenylethanehydrazonoyl fluoride
CID 118400249
methyl (4E)-4-(phenylhydrazinylidene)pentanoate
CID 5355076
N'-phenyl-3-(phenylhydrazinylidene)butanehydrazide
CID 5122748
N-[(E)-[(E)-oct-6-en-2-ylidene]amino]aniline
CID 177464086
N-[(E)-1-(4-methoxyphenyl)propan-2-ylideneamino]aniline
CID 6005812
ethane;N-[(Z)-1-phenylethylideneamino]aniline
CID 91599108
N-[(Z)-3-methylbutan-2-ylideneamino]aniline
CID 5484372
4-[(2E)-2-(4-carboxybutan-2-ylidene)hydrazinyl]benzoic acid
CID 5354683
N-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]aniline
CID 6256661

Frequently Asked Questions

What is the IUPAC name of N-[(E)-4,4-dimethylpentan-2-ylideneamino]aniline?
The IUPAC name of N-[(E)-4,4-dimethylpentan-2-ylideneamino]aniline (CID 14914436) is N-[(E)-4,4-dimethylpentan-2-ylideneamino]aniline.
What is the SMILES notation for N-[(E)-4,4-dimethylpentan-2-ylideneamino]aniline?
The canonical SMILES for N-[(E)-4,4-dimethylpentan-2-ylideneamino]aniline is C/C(CC(C)(C)C)=N\Nc1ccccc1.
What is the InChIKey of N-[(E)-4,4-dimethylpentan-2-ylideneamino]aniline?
The InChIKey is SDQXVNXAIAWFTR-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H20N2/c1-11(10-13(2,3)4)14-15-12-8-6-5-7-9-12/h5-9,15H,10H2,1-4H3/b14-11+.
What are the key properties of N-[(E)-4,4-dimethylpentan-2-ylideneamino]aniline?
N-[(E)-4,4-dimethylpentan-2-ylideneamino]aniline has a molecular weight of 204.32 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4,4-dimethylpentan-2-ylideneamino]aniline is sourced from PubChem (CID 14914436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).