N-(3,3-dimethylbutan-2-ylideneamino)aniline

C12H18N2 — CID 85176493

IUPACN-(3,3-dimethylbutan-2-ylideneamino)aniline
SMILESCC(=NNc1ccccc1)C(C)(C)C
InChIInChI=1S/C12H18N2/c1-10(12(2,3)4)13-14-11-8-6-5-7-9-11/h5-9,14H,1-4H3
InChIKeyWROHRLXGANRCQD-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.52
Rot. Bonds2

About N-(3,3-dimethylbutan-2-ylideneamino)aniline

N-(3,3-dimethylbutan-2-ylideneamino)aniline (PubChem CID 85176493) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-ylideneamino)aniline.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-ylideneamino)aniline
PubChem CID85176493
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN-(3,3-dimethylbutan-2-ylideneamino)aniline
SMILESCC(=NNc1ccccc1)C(C)(C)C
InChIInChI=1S/C12H18N2/c1-10(12(2,3)4)13-14-11-8-6-5-7-9-11/h5-9,14H,1-4H3
InChIKeyWROHRLXGANRCQD-UHFFFAOYSA-N
XLogP3.52
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.52
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-[2-(3,3-dimethylbutan-2-ylidene)hydrazinyl]benzoic acid
CID 126969277
N-[(E)-4,4-dimethylpentan-2-ylideneamino]aniline
CID 14914436
(1E)-N-phenylethanehydrazonoyl fluoride
CID 118400249
N-[(Z)-3-methylbutan-2-ylideneamino]aniline
CID 5484372
ethane;N-[(Z)-1-phenylethylideneamino]aniline
CID 91599108
(2Z)-3,3-dimethyl-2-(phenylhydrazinylidene)butanenitrile oxide
CID 134894059
(N-anilino-C-methylcarbonimidoyl)oxyphosphanyl N-phenylethanehydrazonate
CID 175029527
N'-anilino-2-oxopropanimidamide
CID 6340113
N-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]aniline
CID 6256661
2-(N-anilino-C-methylcarbonimidoyl)benzoic acid
CID 2768362
3-(phenylhydrazinylidene)pentan-2-one
CID 23263615
N-[(E)-4-[tert-butyl(diphenyl)silyl]but-3-yn-2-ylideneamino]aniline
CID 12065844

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-ylideneamino)aniline?
The IUPAC name of N-(3,3-dimethylbutan-2-ylideneamino)aniline (CID 85176493) is N-(3,3-dimethylbutan-2-ylideneamino)aniline.
What is the SMILES notation for N-(3,3-dimethylbutan-2-ylideneamino)aniline?
The canonical SMILES for N-(3,3-dimethylbutan-2-ylideneamino)aniline is CC(=NNc1ccccc1)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-ylideneamino)aniline?
The InChIKey is WROHRLXGANRCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-10(12(2,3)4)13-14-11-8-6-5-7-9-11/h5-9,14H,1-4H3.
What are the key properties of N-(3,3-dimethylbutan-2-ylideneamino)aniline?
N-(3,3-dimethylbutan-2-ylideneamino)aniline has a molecular weight of 190.29 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-ylideneamino)aniline is sourced from PubChem (CID 85176493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).