(E)-N-[(E)-1-(2,4-diethylphenyl)ethylideneamino]propan-2-imine

C15H22N2 — CID 172923604

IUPAC(E)-N-[(E)-1-(2,4-diethylphenyl)ethylideneamino]propan-2-imine
SMILESCCc1ccc(/C(C)=N/N=C(C)C)c(CC)c1
InChIInChI=1S/C15H22N2/c1-6-13-8-9-15(14(7-2)10-13)12(5)17-16-11(3)4/h8-10H,6-7H2,1-5H3/b17-12+
InChIKeyGZGVRMISBQQCDM-SFQUDFHCSA-N
MW230.35 g/mol
LogP4.02
Rot. Bonds4

About (E)-N-[(E)-1-(2,4-diethylphenyl)ethylideneamino]propan-2-imine

(E)-N-[(E)-1-(2,4-diethylphenyl)ethylideneamino]propan-2-imine (PubChem CID 172923604) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is (E)-N-[(E)-1-(2,4-diethylphenyl)ethylideneamino]propan-2-imine.

Molecular Properties

Compound Name(E)-N-[(E)-1-(2,4-diethylphenyl)ethylideneamino]propan-2-imine
PubChem CID172923604
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name(E)-N-[(E)-1-(2,4-diethylphenyl)ethylideneamino]propan-2-imine
SMILESCCc1ccc(/C(C)=N/N=C(C)C)c(CC)c1
InChIInChI=1S/C15H22N2/c1-6-13-8-9-15(14(7-2)10-13)12(5)17-16-11(3)4/h8-10H,6-7H2,1-5H3/b17-12+
InChIKeyGZGVRMISBQQCDM-SFQUDFHCSA-N
XLogP4.02
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.02
H-Bond Donors ≤ 50
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'}

Analyze (E)-N-[(E)-1-(2,4-diethylphenyl)ethylideneamino]propan-2-imine 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

(E)-1-(2,3-diethylphenyl)-N-(methylideneamino)ethanimine;bis((E)-1-(2,4-diethylphenyl)-N-(methylideneamino)ethanimine);(E)-1-(3,5-diethylphenyl)-N-(methylideneamino)ethanimine;ethane
CID 172966442
bis(N-[(Z)-1-(3,7-diethylnaphthalen-2-yl)ethylideneamino]propan-2-amine);bis((E)-N-[(E)-1-(1,5-diethylnaphthalen-2-yl)ethylideneamino]propan-2-imine);ethane
CID 172929192
(Z)-N-[(Z)-1-(5,8-diethylnaphthalen-2-yl)ethylideneamino]propan-2-imine
CID 160652434
(2,4-diethylphenyl)methanol
CID 21414896
2,5-diethylbenzoyl iodide
CID 139959906
1-(5-ethyl-2-fluorophenyl)propan-2-one
CID 117278354
4-(2,4-diethylphenyl)-6-ethylbenzene-1,3-diol
CID 101302857
(4-ethanimidoyl-3-ethylphenyl)methanamine
CID 144882906
N-[(E)-1-(2,6-diethylnaphthalen-1-yl)ethylideneamino]propan-2-amine;N-[(E)-1-(3,7-diethylnaphthalen-1-yl)ethylideneamino]propan-2-amine;(E)-N-[(E)-1-(2,6-diethylnaphthalen-1-yl)ethylideneamino]propan-2-imine;(E)-N-[(E)-1-(3,7-diethylnaphthalen-1-yl)ethylideneamino]propan-2-imine;(Z)-N-[(Z)-1-(5,8-diethylnaphthalen-2-yl)ethylideneamino]propan-2-imine;ethane
CID 172930889
(2,5-diethylbenzoyl) 2,5-diethylbenzoate
CID 150438529
2,4-diethyl-1-fluorobenzene;ethane
CID 143588111
1-(6-ethylnaphthalen-2-yl)ethanone
CID 23046884

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(E)-1-(2,4-diethylphenyl)ethylideneamino]propan-2-imine?
The IUPAC name of (E)-N-[(E)-1-(2,4-diethylphenyl)ethylideneamino]propan-2-imine (CID 172923604) is (E)-N-[(E)-1-(2,4-diethylphenyl)ethylideneamino]propan-2-imine.
What is the SMILES notation for (E)-N-[(E)-1-(2,4-diethylphenyl)ethylideneamino]propan-2-imine?
The canonical SMILES for (E)-N-[(E)-1-(2,4-diethylphenyl)ethylideneamino]propan-2-imine is CCc1ccc(/C(C)=N/N=C(C)C)c(CC)c1.
What is the InChIKey of (E)-N-[(E)-1-(2,4-diethylphenyl)ethylideneamino]propan-2-imine?
The InChIKey is GZGVRMISBQQCDM-SFQUDFHCSA-N. The full InChI is InChI=1S/C15H22N2/c1-6-13-8-9-15(14(7-2)10-13)12(5)17-16-11(3)4/h8-10H,6-7H2,1-5H3/b17-12+.
What are the key properties of (E)-N-[(E)-1-(2,4-diethylphenyl)ethylideneamino]propan-2-imine?
(E)-N-[(E)-1-(2,4-diethylphenyl)ethylideneamino]propan-2-imine has a molecular weight of 230.35 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-1-(2,4-diethylphenyl)ethylideneamino]propan-2-imine is sourced from PubChem (CID 172923604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).