N,N'-bis(2-methyl-6-propan-2-ylphenyl)methanimidamide

C21H28N2 — CID 20660934

IUPACN,N'-bis(2-methyl-6-propan-2-ylphenyl)methanimidamide
SMILESCc1cccc(C(C)C)c1/N=C/Nc1c(C)cccc1C(C)C
InChIInChI=1S/C21H28N2/c1-14(2)18-11-7-9-16(5)20(18)22-13-23-21-17(6)10-8-12-19(21)15(3)4/h7-15H,1-6H3,(H,22,23)
InChIKeyWGEOYFDXVRYAEC-UHFFFAOYSA-N
MW308.47 g/mol
LogP6.32
Rot. Bonds5

About N,N'-bis(2-methyl-6-propan-2-ylphenyl)methanimidamide

N,N'-bis(2-methyl-6-propan-2-ylphenyl)methanimidamide (PubChem CID 20660934) has the molecular formula C21H28N2 and a molecular weight of 308.47 g/mol. Its IUPAC name is N,N'-bis(2-methyl-6-propan-2-ylphenyl)methanimidamide.

Molecular Properties

Compound NameN,N'-bis(2-methyl-6-propan-2-ylphenyl)methanimidamide
PubChem CID20660934
Molecular FormulaC21H28N2
Molecular Weight308.47 g/mol
Exact Mass308.23
IUPAC NameN,N'-bis(2-methyl-6-propan-2-ylphenyl)methanimidamide
SMILESCc1cccc(C(C)C)c1/N=C/Nc1c(C)cccc1C(C)C
InChIInChI=1S/C21H28N2/c1-14(2)18-11-7-9-16(5)20(18)22-13-23-21-17(6)10-8-12-19(21)15(3)4/h7-15H,1-6H3,(H,22,23)
InChIKeyWGEOYFDXVRYAEC-UHFFFAOYSA-N
XLogP6.32
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.47
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]-N'-propan-2-ylmethanimidamide
CID 122212569
2-methyl-N-[(Z)-4-(2-methyl-6-propan-2-ylphenyl)iminopent-2-en-2-yl]-6-propan-2-ylaniline
CID 101126797
N-(2-methyl-6-propan-2-ylphenyl)propan-2-imine
CID 123174070
N'-[2,6-di(propan-2-yl)phenyl]-N-(2-methyl-6-propan-2-ylphenyl)methanediimine
CID 20719131
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;cobalt
CID 69498606
2-[[(Z)-2-cyano-3-(2-methyl-6-propan-2-ylanilino)prop-2-enoyl]amino]-3-methylbutanoic acid
CID 108845430
N-(2-methyl-6-propan-2-ylphenyl)-1-quinolin-2-ylmethanimine
CID 20706875
N-(2-methyl-6-propan-2-ylphenyl)-1-(3,4,5-trimethoxyphenyl)methanimine
CID 23761180
4-(2-methyl-6-propan-2-ylanilino)-4-oxobut-2-enoate
CID 5085766
2,6-di(propan-2-yl)-N-[(Z)-prop-1-enyl]aniline
CID 130282228
N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;carbanide;nickel
CID 21339154

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2-methyl-6-propan-2-ylphenyl)methanimidamide?
The IUPAC name of N,N'-bis(2-methyl-6-propan-2-ylphenyl)methanimidamide (CID 20660934) is N,N'-bis(2-methyl-6-propan-2-ylphenyl)methanimidamide.
What is the SMILES notation for N,N'-bis(2-methyl-6-propan-2-ylphenyl)methanimidamide?
The canonical SMILES for N,N'-bis(2-methyl-6-propan-2-ylphenyl)methanimidamide is Cc1cccc(C(C)C)c1/N=C/Nc1c(C)cccc1C(C)C.
What is the InChIKey of N,N'-bis(2-methyl-6-propan-2-ylphenyl)methanimidamide?
The InChIKey is WGEOYFDXVRYAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2/c1-14(2)18-11-7-9-16(5)20(18)22-13-23-21-17(6)10-8-12-19(21)15(3)4/h7-15H,1-6H3,(H,22,23).
What are the key properties of N,N'-bis(2-methyl-6-propan-2-ylphenyl)methanimidamide?
N,N'-bis(2-methyl-6-propan-2-ylphenyl)methanimidamide has a molecular weight of 308.47 g/mol, XLogP of 6.32, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-methyl-6-propan-2-ylphenyl)methanimidamide is sourced from PubChem (CID 20660934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).