N'-[(Z)-[amino-(2,6-dimethylphenyl)methylidene]amino]-2,6-dimethylbenzenecarboximidamide;ethane

C24H40N4 — CID 145320894

IUPACN'-[(Z)-[amino-(2,6-dimethylphenyl)methylidene]amino]-2,6-dimethylbenzenecarboximidamide;ethane
SMILESCC.CC.CC.Cc1cccc(C)c1/C(N)=N/N=C(\N)c1c(C)cccc1C
InChIInChI=1S/C18H22N4.3C2H6/c1-11-7-5-8-12(2)15(11)17(19)21-22-18(20)16-13(3)9-6-10-14(16)4;3*1-2/h5-10H,1-4H3,(H2,19,21)(H2,20,22);3*1-2H3
InChIKeyNASUPFFUWUINQR-UHFFFAOYSA-N
MW384.61 g/mol
LogP6.02
Rot. Bonds3

About N'-[(Z)-[amino-(2,6-dimethylphenyl)methylidene]amino]-2,6-dimethylbenzenecarboximidamide;ethane

N'-[(Z)-[amino-(2,6-dimethylphenyl)methylidene]amino]-2,6-dimethylbenzenecarboximidamide;ethane (PubChem CID 145320894) has the molecular formula C24H40N4 and a molecular weight of 384.61 g/mol. Its IUPAC name is N'-[(Z)-[amino-(2,6-dimethylphenyl)methylidene]amino]-2,6-dimethylbenzenecarboximidamide;ethane.

Molecular Properties

Compound NameN'-[(Z)-[amino-(2,6-dimethylphenyl)methylidene]amino]-2,6-dimethylbenzenecarboximidamide;ethane
PubChem CID145320894
Molecular FormulaC24H40N4
Molecular Weight384.61 g/mol
Exact Mass384.33
IUPAC NameN'-[(Z)-[amino-(2,6-dimethylphenyl)methylidene]amino]-2,6-dimethylbenzenecarboximidamide;ethane
SMILESCC.CC.CC.Cc1cccc(C)c1/C(N)=N/N=C(\N)c1c(C)cccc1C
InChIInChI=1S/C18H22N4.3C2H6/c1-11-7-5-8-12(2)15(11)17(19)21-22-18(20)16-13(3)9-6-10-14(16)4;3*1-2/h5-10H,1-4H3,(H2,19,21)(H2,20,22);3*1-2H3
InChIKeyNASUPFFUWUINQR-UHFFFAOYSA-N
XLogP6.02
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.61
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-[(Z)-[amino-(2,6-dimethylphenyl)methylidene]amino]-2,6-dimethylbenzenecarboximidamide;ethane 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

N'-hydroxy-2,6-dimethylbenzenecarboximidamide
CID 6299742
N'-[(Z)-[amino(phenyl)methylidene]amino]-2-bromo-6-methylbenzenecarboximidamide
CID 129205409
N'-[(Z)-[amino-(2-methylphenyl)methylidene]amino]-2-methylbenzenecarboximidamide
CID 145320912
1-(2,6-dimethylphenyl)ethenamine
CID 70299963
2,6-dimethylbenzenecarboximidamide
CID 5047790
2-bromo-1-(2,6-dimethylphenyl)ethanone
CID 14972767
(Z)-4-amino-4-(2,6-dimethylphenyl)but-3-en-2-ol;ethane
CID 176970768
2-chloro-6-methyl-N'-phenylbenzenecarboximidamide
CID 150758407
2-ethanehydrazonoyl-3-methylphenol
CID 137274305
ethyl 2,6-dimethylbenzoate
CID 520807
2-[(Z)-but-2-en-2-yl]-1,3-dimethylbenzene;ethane
CID 144812182
N'-hydroxy-2-methyl-6-nitrobenzenecarboximidamide
CID 124679312

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[amino-(2,6-dimethylphenyl)methylidene]amino]-2,6-dimethylbenzenecarboximidamide;ethane?
The IUPAC name of N'-[(Z)-[amino-(2,6-dimethylphenyl)methylidene]amino]-2,6-dimethylbenzenecarboximidamide;ethane (CID 145320894) is N'-[(Z)-[amino-(2,6-dimethylphenyl)methylidene]amino]-2,6-dimethylbenzenecarboximidamide;ethane.
What is the SMILES notation for N'-[(Z)-[amino-(2,6-dimethylphenyl)methylidene]amino]-2,6-dimethylbenzenecarboximidamide;ethane?
The canonical SMILES for N'-[(Z)-[amino-(2,6-dimethylphenyl)methylidene]amino]-2,6-dimethylbenzenecarboximidamide;ethane is CC.CC.CC.Cc1cccc(C)c1/C(N)=N/N=C(\N)c1c(C)cccc1C.
What is the InChIKey of N'-[(Z)-[amino-(2,6-dimethylphenyl)methylidene]amino]-2,6-dimethylbenzenecarboximidamide;ethane?
The InChIKey is NASUPFFUWUINQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4.3C2H6/c1-11-7-5-8-12(2)15(11)17(19)21-22-18(20)16-13(3)9-6-10-14(16)4;3*1-2/h5-10H,1-4H3,(H2,19,21)(H2,20,22);3*1-2H3.
What are the key properties of N'-[(Z)-[amino-(2,6-dimethylphenyl)methylidene]amino]-2,6-dimethylbenzenecarboximidamide;ethane?
N'-[(Z)-[amino-(2,6-dimethylphenyl)methylidene]amino]-2,6-dimethylbenzenecarboximidamide;ethane has a molecular weight of 384.61 g/mol, XLogP of 6.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[amino-(2,6-dimethylphenyl)methylidene]amino]-2,6-dimethylbenzenecarboximidamide;ethane is sourced from PubChem (CID 145320894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).