N'-[2,6-dichloro-4-[[4-(dimethylamino)phenyl]methylideneamino]phenyl]-N,N-dimethylmethanimidamide

C18H20Cl2N4 — CID 13064600

IUPACN'-[2,6-dichloro-4-[[4-(dimethylamino)phenyl]methylideneamino]phenyl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1c(Cl)cc(/N=C/c2ccc(N(C)C)cc2)cc1Cl
InChIInChI=1S/C18H20Cl2N4/c1-23(2)12-22-18-16(19)9-14(10-17(18)20)21-11-13-5-7-15(8-6-13)24(3)4/h5-12H,1-4H3/b21-11+,22-12+
InChIKeyFVOJPPUMWZFWOL-XHQRYOPUSA-N
MW363.29 g/mol
LogP5.03
Rot. Bonds5

About N'-[2,6-dichloro-4-[[4-(dimethylamino)phenyl]methylideneamino]phenyl]-N,N-dimethylmethanimidamide

N'-[2,6-dichloro-4-[[4-(dimethylamino)phenyl]methylideneamino]phenyl]-N,N-dimethylmethanimidamide (PubChem CID 13064600) has the molecular formula C18H20Cl2N4 and a molecular weight of 363.29 g/mol. Its IUPAC name is N'-[2,6-dichloro-4-[[4-(dimethylamino)phenyl]methylideneamino]phenyl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[2,6-dichloro-4-[[4-(dimethylamino)phenyl]methylideneamino]phenyl]-N,N-dimethylmethanimidamide
PubChem CID13064600
Molecular FormulaC18H20Cl2N4
Molecular Weight363.29 g/mol
Exact Mass362.11
IUPAC NameN'-[2,6-dichloro-4-[[4-(dimethylamino)phenyl]methylideneamino]phenyl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1c(Cl)cc(/N=C/c2ccc(N(C)C)cc2)cc1Cl
InChIInChI=1S/C18H20Cl2N4/c1-23(2)12-22-18-16(19)9-14(10-17(18)20)21-11-13-5-7-15(8-6-13)24(3)4/h5-12H,1-4H3/b21-11+,22-12+
InChIKeyFVOJPPUMWZFWOL-XHQRYOPUSA-N
XLogP5.03
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.29
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2,6-dichloro-4-[[4-(dimethylamino)phenyl]methylideneamino]phenyl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[2,6-dichloro-4-[[4-(dimethylamino)phenyl]methylideneamino]phenyl]-N,N-dimethylmethanimidamide (CID 13064600) is N'-[2,6-dichloro-4-[[4-(dimethylamino)phenyl]methylideneamino]phenyl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[2,6-dichloro-4-[[4-(dimethylamino)phenyl]methylideneamino]phenyl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[2,6-dichloro-4-[[4-(dimethylamino)phenyl]methylideneamino]phenyl]-N,N-dimethylmethanimidamide is CN(C)/C=N/c1c(Cl)cc(/N=C/c2ccc(N(C)C)cc2)cc1Cl.
What is the InChIKey of N'-[2,6-dichloro-4-[[4-(dimethylamino)phenyl]methylideneamino]phenyl]-N,N-dimethylmethanimidamide?
The InChIKey is FVOJPPUMWZFWOL-XHQRYOPUSA-N. The full InChI is InChI=1S/C18H20Cl2N4/c1-23(2)12-22-18-16(19)9-14(10-17(18)20)21-11-13-5-7-15(8-6-13)24(3)4/h5-12H,1-4H3/b21-11+,22-12+.
What are the key properties of N'-[2,6-dichloro-4-[[4-(dimethylamino)phenyl]methylideneamino]phenyl]-N,N-dimethylmethanimidamide?
N'-[2,6-dichloro-4-[[4-(dimethylamino)phenyl]methylideneamino]phenyl]-N,N-dimethylmethanimidamide has a molecular weight of 363.29 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2,6-dichloro-4-[[4-(dimethylamino)phenyl]methylideneamino]phenyl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 13064600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).