ethane;4-ethyl-N-[(Z)-2-iminoethylideneamino]aniline

C12H19N3 — CID 145394372

IUPACethane;4-ethyl-N-[(Z)-2-iminoethylideneamino]aniline
SMILESCC.[H]/N=C/C=N\Nc1ccc(CC)cc1
InChIInChI=1S/C10H13N3.C2H6/c1-2-9-3-5-10(6-4-9)13-12-8-7-11;1-2/h3-8,11,13H,2H2,1H3;1-2H3/b11-7+,12-8-;
InChIKeyDVNACNGTZQVLJC-ZYZAIARMSA-N
MW205.30 g/mol
LogP3.32
Rot. Bonds4

About ethane;4-ethyl-N-[(Z)-2-iminoethylideneamino]aniline

ethane;4-ethyl-N-[(Z)-2-iminoethylideneamino]aniline (PubChem CID 145394372) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is ethane;4-ethyl-N-[(Z)-2-iminoethylideneamino]aniline.

Molecular Properties

Compound Nameethane;4-ethyl-N-[(Z)-2-iminoethylideneamino]aniline
PubChem CID145394372
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Nameethane;4-ethyl-N-[(Z)-2-iminoethylideneamino]aniline
SMILESCC.[H]/N=C/C=N\Nc1ccc(CC)cc1
InChIInChI=1S/C10H13N3.C2H6/c1-2-9-3-5-10(6-4-9)13-12-8-7-11;1-2/h3-8,11,13H,2H2,1H3;1-2H3/b11-7+,12-8-;
InChIKeyDVNACNGTZQVLJC-ZYZAIARMSA-N
XLogP3.32
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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CID 91207141
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N-[(4-ethylphenyl)methylideneamino]-4-(trifluoromethyl)aniline
CID 110841973
2-[(4-ethylphenyl)hydrazinylidene]propanedinitrile
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N-bromo-4-ethylaniline
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N,4-diethylaniline
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CID 57248399
N-[(E)-(4-ethylphenyl)methylideneamino]-3,4-dimethylaniline
CID 110505055
N-(4-ethylphenyl)-3-hydroxy-2-iminobutanamide
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CID 174296012
N-tert-butyl-4-ethylaniline
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Frequently Asked Questions

What is the IUPAC name of ethane;4-ethyl-N-[(Z)-2-iminoethylideneamino]aniline?
The IUPAC name of ethane;4-ethyl-N-[(Z)-2-iminoethylideneamino]aniline (CID 145394372) is ethane;4-ethyl-N-[(Z)-2-iminoethylideneamino]aniline.
What is the SMILES notation for ethane;4-ethyl-N-[(Z)-2-iminoethylideneamino]aniline?
The canonical SMILES for ethane;4-ethyl-N-[(Z)-2-iminoethylideneamino]aniline is CC.[H]/N=C/C=N\Nc1ccc(CC)cc1.
What is the InChIKey of ethane;4-ethyl-N-[(Z)-2-iminoethylideneamino]aniline?
The InChIKey is DVNACNGTZQVLJC-ZYZAIARMSA-N. The full InChI is InChI=1S/C10H13N3.C2H6/c1-2-9-3-5-10(6-4-9)13-12-8-7-11;1-2/h3-8,11,13H,2H2,1H3;1-2H3/b11-7+,12-8-;.
What are the key properties of ethane;4-ethyl-N-[(Z)-2-iminoethylideneamino]aniline?
ethane;4-ethyl-N-[(Z)-2-iminoethylideneamino]aniline has a molecular weight of 205.30 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyl-N-[(Z)-2-iminoethylideneamino]aniline is sourced from PubChem (CID 145394372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).