dichlorozinc;1,1,3,3-tetramethyl-2-[2-(pyridin-2-ylmethylideneamino)phenyl]guanidine

C17H21Cl2N5Zn — CID 175684000

IUPACdichlorozinc;1,1,3,3-tetramethyl-2-[2-(pyridin-2-ylmethylideneamino)phenyl]guanidine
SMILESCN(C)C(=Nc1ccccc1/N=C/c1ccccn1)N(C)C.Cl[Zn]Cl
InChIInChI=1S/C17H21N5.2ClH.Zn/c1-21(2)17(22(3)4)20-16-11-6-5-10-15(16)19-13-14-9-7-8-12-18-14;;;/h5-13H,1-4H3;2*1H;/q;;;+2/p-2/b19-13+;;;
InChIKeyLVKRSCJWBOINAE-KOVSQTEASA-L
MW431.69 g/mol
LogP4.32
Rot. Bonds3

About dichlorozinc;1,1,3,3-tetramethyl-2-[2-(pyridin-2-ylmethylideneamino)phenyl]guanidine

dichlorozinc;1,1,3,3-tetramethyl-2-[2-(pyridin-2-ylmethylideneamino)phenyl]guanidine (PubChem CID 175684000) has the molecular formula C17H21Cl2N5Zn and a molecular weight of 431.69 g/mol. Its IUPAC name is dichlorozinc;1,1,3,3-tetramethyl-2-[2-(pyridin-2-ylmethylideneamino)phenyl]guanidine.

Molecular Properties

Compound Namedichlorozinc;1,1,3,3-tetramethyl-2-[2-(pyridin-2-ylmethylideneamino)phenyl]guanidine
PubChem CID175684000
Molecular FormulaC17H21Cl2N5Zn
Molecular Weight431.69 g/mol
Exact Mass429.05
IUPAC Namedichlorozinc;1,1,3,3-tetramethyl-2-[2-(pyridin-2-ylmethylideneamino)phenyl]guanidine
SMILESCN(C)C(=Nc1ccccc1/N=C/c1ccccn1)N(C)C.Cl[Zn]Cl
InChIInChI=1S/C17H21N5.2ClH.Zn/c1-21(2)17(22(3)4)20-16-11-6-5-10-15(16)19-13-14-9-7-8-12-18-14;;;/h5-13H,1-4H3;2*1H;/q;;;+2/p-2/b19-13+;;;
InChIKeyLVKRSCJWBOINAE-KOVSQTEASA-L
XLogP4.32
TPSA44.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.69
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

bis(palladium(2+));1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)phenyl]methanimine;tetraacetate
CID 71620227
manganese(3+);1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)phenyl]methanimine;diisothiocyanate
CID 11826597
dioxidanium;copper;2-(pyridin-2-ylmethylideneamino)phenolate;bromide
CID 139147508
copper(1+);bis(N-(2-methylsulfanylphenyl)-1-pyridin-2-ylmethanimine)
CID 140660307
N-(2-nitrophenyl)-1-pyridin-2-ylmethanimine
CID 13423752
N,N-dimethyl-2-[2-(pyridin-2-ylmethylideneamino)phenyl]pyridin-3-amine
CID 122549135
N,N-dimethyl-4-(pyridin-2-ylmethylideneamino)aniline
CID 20740795
1-pyridin-2-yl-N-quinolin-8-ylmethanimine
CID 15764078
N-[4-[3,4-bis(pyridin-2-ylmethylideneamino)phenoxy]-2-(pyridin-2-ylmethylideneamino)phenyl]-1-pyridin-2-ylmethanimine
CID 4616068
N-(2-tert-butylquinolin-8-yl)-1-pyridin-2-ylmethanimine
CID 101430447
2-N-[(E)-pyridin-2-ylmethylideneamino]-3-N-[(Z)-[(3Z)-3-[(Z)-[(3E)-3-[(E)-pyridin-2-ylmethylidenehydrazinylidene]butan-2-ylidene]hydrazinylidene]butan-2-ylidene]amino]butane-2,3-diimine
CID 11979937
N,N-dimethyl-3-(pyridin-2-ylmethylideneamino)aniline
CID 155931686

Frequently Asked Questions

What is the IUPAC name of dichlorozinc;1,1,3,3-tetramethyl-2-[2-(pyridin-2-ylmethylideneamino)phenyl]guanidine?
The IUPAC name of dichlorozinc;1,1,3,3-tetramethyl-2-[2-(pyridin-2-ylmethylideneamino)phenyl]guanidine (CID 175684000) is dichlorozinc;1,1,3,3-tetramethyl-2-[2-(pyridin-2-ylmethylideneamino)phenyl]guanidine.
What is the SMILES notation for dichlorozinc;1,1,3,3-tetramethyl-2-[2-(pyridin-2-ylmethylideneamino)phenyl]guanidine?
The canonical SMILES for dichlorozinc;1,1,3,3-tetramethyl-2-[2-(pyridin-2-ylmethylideneamino)phenyl]guanidine is CN(C)C(=Nc1ccccc1/N=C/c1ccccn1)N(C)C.Cl[Zn]Cl.
What is the InChIKey of dichlorozinc;1,1,3,3-tetramethyl-2-[2-(pyridin-2-ylmethylideneamino)phenyl]guanidine?
The InChIKey is LVKRSCJWBOINAE-KOVSQTEASA-L. The full InChI is InChI=1S/C17H21N5.2ClH.Zn/c1-21(2)17(22(3)4)20-16-11-6-5-10-15(16)19-13-14-9-7-8-12-18-14;;;/h5-13H,1-4H3;2*1H;/q;;;+2/p-2/b19-13+;;;.
What are the key properties of dichlorozinc;1,1,3,3-tetramethyl-2-[2-(pyridin-2-ylmethylideneamino)phenyl]guanidine?
dichlorozinc;1,1,3,3-tetramethyl-2-[2-(pyridin-2-ylmethylideneamino)phenyl]guanidine has a molecular weight of 431.69 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozinc;1,1,3,3-tetramethyl-2-[2-(pyridin-2-ylmethylideneamino)phenyl]guanidine is sourced from PubChem (CID 175684000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).