ethane;N-[(Z)-ethylideneamino]-3-methylaniline

C11H18N2 — CID 142906604

IUPACethane;N-[(Z)-ethylideneamino]-3-methylaniline
SMILESC/C=N\Nc1cccc(C)c1.CC
InChIInChI=1S/C9H12N2.C2H6/c1-3-10-11-9-6-4-5-8(2)7-9;1-2/h3-7,11H,1-2H3;1-2H3/b10-3-;
InChIKeyYZLKEEYSWQZXTK-HVHUWTQGSA-N
MW178.28 g/mol
LogP3.44
Rot. Bonds2

About ethane;N-[(Z)-ethylideneamino]-3-methylaniline

ethane;N-[(Z)-ethylideneamino]-3-methylaniline (PubChem CID 142906604) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is ethane;N-[(Z)-ethylideneamino]-3-methylaniline.

Molecular Properties

Compound Nameethane;N-[(Z)-ethylideneamino]-3-methylaniline
PubChem CID142906604
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Nameethane;N-[(Z)-ethylideneamino]-3-methylaniline
SMILESC/C=N\Nc1cccc(C)c1.CC
InChIInChI=1S/C9H12N2.C2H6/c1-3-10-11-9-6-4-5-8(2)7-9;1-2/h3-7,11H,1-2H3;1-2H3/b10-3-;
InChIKeyYZLKEEYSWQZXTK-HVHUWTQGSA-N
XLogP3.44
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 53.44
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-[(Z)-(2,3-dichlorophenyl)methylideneamino]-3-methylaniline
CID 9060596
N-[(Z)-ethylideneamino]-1-(3-methylphenyl)methanamine
CID 155067915
3-methyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 9060609
N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-3-methylaniline
CID 9060487
N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-3-methylaniline
CID 9060518
3-methyl-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]aniline
CID 9060472
(3-methylanilino)azanium
CID 4555748
N-ethenyl-3-methylaniline
CID 69480469
N-[(3-methylphenyl)methylideneamino]-3-(trifluoromethyl)aniline
CID 110841664
ethane;1,3-xylene
CID 54570178
3-methyl-N-[(Z)-1-(4-methylphenyl)ethylideneamino]aniline
CID 9060581
2-bromo-6-methoxy-4-[[(3-methylphenyl)hydrazinylidene]methyl]phenol
CID 5068133

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(Z)-ethylideneamino]-3-methylaniline?
The IUPAC name of ethane;N-[(Z)-ethylideneamino]-3-methylaniline (CID 142906604) is ethane;N-[(Z)-ethylideneamino]-3-methylaniline.
What is the SMILES notation for ethane;N-[(Z)-ethylideneamino]-3-methylaniline?
The canonical SMILES for ethane;N-[(Z)-ethylideneamino]-3-methylaniline is C/C=N\Nc1cccc(C)c1.CC.
What is the InChIKey of ethane;N-[(Z)-ethylideneamino]-3-methylaniline?
The InChIKey is YZLKEEYSWQZXTK-HVHUWTQGSA-N. The full InChI is InChI=1S/C9H12N2.C2H6/c1-3-10-11-9-6-4-5-8(2)7-9;1-2/h3-7,11H,1-2H3;1-2H3/b10-3-;.
What are the key properties of ethane;N-[(Z)-ethylideneamino]-3-methylaniline?
ethane;N-[(Z)-ethylideneamino]-3-methylaniline has a molecular weight of 178.28 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(Z)-ethylideneamino]-3-methylaniline is sourced from PubChem (CID 142906604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).