5-tert-butyl-2-ethanimidoyl-N-methylaniline;ethane

C15H26N2 — CID 144540330

IUPAC5-tert-butyl-2-ethanimidoyl-N-methylaniline;ethane
SMILESCC.[H]/N=C(\C)c1ccc(C(C)(C)C)cc1NC
InChIInChI=1S/C13H20N2.C2H6/c1-9(14)11-7-6-10(13(2,3)4)8-12(11)15-5;1-2/h6-8,14-15H,1-5H3;1-2H3/b14-9+;
InChIKeyYQLPRDSCFIOKIM-KYIGKLDSSA-N
MW234.39 g/mol
LogP4.44
Rot. Bonds2

About 5-tert-butyl-2-ethanimidoyl-N-methylaniline;ethane

5-tert-butyl-2-ethanimidoyl-N-methylaniline;ethane (PubChem CID 144540330) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 5-tert-butyl-2-ethanimidoyl-N-methylaniline;ethane.

Molecular Properties

Compound Name5-tert-butyl-2-ethanimidoyl-N-methylaniline;ethane
PubChem CID144540330
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name5-tert-butyl-2-ethanimidoyl-N-methylaniline;ethane
SMILESCC.[H]/N=C(\C)c1ccc(C(C)(C)C)cc1NC
InChIInChI=1S/C13H20N2.C2H6/c1-9(14)11-7-6-10(13(2,3)4)8-12(11)15-5;1-2/h6-8,14-15H,1-5H3;1-2H3/b14-9+;
InChIKeyYQLPRDSCFIOKIM-KYIGKLDSSA-N
XLogP4.44
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-tert-butyl-2-ethanimidoyl-N-methylaniline;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-tert-butyl-N-methyl-2-propanimidoylaniline
CID 123530487
5-bromo-2-ethanimidoyl-N-methylaniline
CID 145062110
1-(5-tert-butyl-2-methylphenyl)ethanimine
CID 175634188
4,5-dichloro-2-ethanimidoyl-N-methylaniline;ethane
CID 144540373
1-(4-tert-butylphenyl)ethanimine
CID 20718021
1-(3-tert-butylphenyl)ethanimine
CID 175635201
2-bromo-5-tert-butyl-N-methylaniline;hydrochloride
CID 167741746
4-(tert-butyl-ethyl-methyl-λ4-sulfanyl)oxy-2-ethanimidoyl-N-methylaniline
CID 144540394
4-ethanimidoyl-2-fluoro-5-(methylamino)benzamide
CID 174256186
2-ethanimidoyl-N-methylpyridin-3-amine
CID 144574893
2-chloro-6-(trifluoromethyl)benzaldehyde;ethane;methyl 4-ethanimidoyl-3-(methylamino)benzoate
CID 144572449
(4S)-2-amino-4-[4-ethanimidoyl-3-(methylamino)phenyl]-1-methyl-4,5-dihydropyrimidin-6-one
CID 163610425

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-ethanimidoyl-N-methylaniline;ethane?
The IUPAC name of 5-tert-butyl-2-ethanimidoyl-N-methylaniline;ethane (CID 144540330) is 5-tert-butyl-2-ethanimidoyl-N-methylaniline;ethane.
What is the SMILES notation for 5-tert-butyl-2-ethanimidoyl-N-methylaniline;ethane?
The canonical SMILES for 5-tert-butyl-2-ethanimidoyl-N-methylaniline;ethane is CC.[H]/N=C(\C)c1ccc(C(C)(C)C)cc1NC.
What is the InChIKey of 5-tert-butyl-2-ethanimidoyl-N-methylaniline;ethane?
The InChIKey is YQLPRDSCFIOKIM-KYIGKLDSSA-N. The full InChI is InChI=1S/C13H20N2.C2H6/c1-9(14)11-7-6-10(13(2,3)4)8-12(11)15-5;1-2/h6-8,14-15H,1-5H3;1-2H3/b14-9+;.
What are the key properties of 5-tert-butyl-2-ethanimidoyl-N-methylaniline;ethane?
5-tert-butyl-2-ethanimidoyl-N-methylaniline;ethane has a molecular weight of 234.39 g/mol, XLogP of 4.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-ethanimidoyl-N-methylaniline;ethane is sourced from PubChem (CID 144540330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).