1-(2,4-dichlorophenyl)-N-pent-2-ynylmethanimine

C12H11Cl2N — CID 18915507

IUPAC1-(2,4-dichlorophenyl)-N-pent-2-ynylmethanimine
SMILESCCC#CC/N=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H11Cl2N/c1-2-3-4-7-15-9-10-5-6-11(13)8-12(10)14/h5-6,8-9H,2,7H2,1H3/b15-9+
InChIKeyCERYIBPTDFXIIU-OQLLNIDSSA-N
MW240.13 g/mol
LogP3.83
Rot. Bonds2

About 1-(2,4-dichlorophenyl)-N-pent-2-ynylmethanimine

1-(2,4-dichlorophenyl)-N-pent-2-ynylmethanimine (PubChem CID 18915507) has the molecular formula C12H11Cl2N and a molecular weight of 240.13 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-pent-2-ynylmethanimine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-pent-2-ynylmethanimine
PubChem CID18915507
Molecular FormulaC12H11Cl2N
Molecular Weight240.13 g/mol
Exact Mass239.03
IUPAC Name1-(2,4-dichlorophenyl)-N-pent-2-ynylmethanimine
SMILESCCC#CC/N=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H11Cl2N/c1-2-3-4-7-15-9-10-5-6-11(13)8-12(10)14/h5-6,8-9H,2,7H2,1H3/b15-9+
InChIKeyCERYIBPTDFXIIU-OQLLNIDSSA-N
XLogP3.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.13
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-dichlorophenyl)-N-(2,2-diethoxyethyl)methanimine
CID 170944157
1-(2,4-dichlorophenyl)-N-[2-[(2,4-dichlorophenyl)methylideneamino]propyl]methanimine
CID 2835360
N-[(2,4-dichlorophenyl)methylideneamino]methanamine
CID 67650124
N-[2-(3-chloro-2-methylphenyl)ethyl]-1-(2,4-dichlorophenyl)methanimine
CID 14599842
1-[(Z)-but-1-enyl]-2,4-dichlorobenzene
CID 67080245
1-(2,4-dichlorophenyl)-N-nonan-2-ylmethanimine
CID 139757285
(Z)-2-amino-3-[(2,4-dichlorophenyl)methylideneamino]but-2-enedinitrile
CID 2737740
(E)-1-(2,4-dichlorophenyl)-N-prop-2-enoxymethanimine
CID 173365422
(4-chloro-2-ethylphenyl)methylidenehydrazine
CID 168530938
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
CID 6162520
N-[(2,4-dichlorophenyl)methylideneamino]methanesulfonamide
CID 867204
ethyl 2-[(E)-(2,4-dichlorophenyl)methylideneamino]oxyacetate
CID 173365405

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-pent-2-ynylmethanimine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-pent-2-ynylmethanimine (CID 18915507) is 1-(2,4-dichlorophenyl)-N-pent-2-ynylmethanimine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-pent-2-ynylmethanimine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-pent-2-ynylmethanimine is CCC#CC/N=C/c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-pent-2-ynylmethanimine?
The InChIKey is CERYIBPTDFXIIU-OQLLNIDSSA-N. The full InChI is InChI=1S/C12H11Cl2N/c1-2-3-4-7-15-9-10-5-6-11(13)8-12(10)14/h5-6,8-9H,2,7H2,1H3/b15-9+.
What are the key properties of 1-(2,4-dichlorophenyl)-N-pent-2-ynylmethanimine?
1-(2,4-dichlorophenyl)-N-pent-2-ynylmethanimine has a molecular weight of 240.13 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-pent-2-ynylmethanimine is sourced from PubChem (CID 18915507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).