N'-tert-butyl-3-methylbenzenecarboximidamide

C12H18N2 — CID 63181411

IUPACN'-tert-butyl-3-methylbenzenecarboximidamide
SMILESCc1cccc(/C(N)=N/C(C)(C)C)c1
InChIInChI=1S/C12H18N2/c1-9-6-5-7-10(8-9)11(13)14-12(2,3)4/h5-8H,1-4H3,(H2,13,14)
InChIKeyPJGVPJBIYCLBOF-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.50
Rot. Bonds1

About N'-tert-butyl-3-methylbenzenecarboximidamide

N'-tert-butyl-3-methylbenzenecarboximidamide (PubChem CID 63181411) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N'-tert-butyl-3-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-tert-butyl-3-methylbenzenecarboximidamide
PubChem CID63181411
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN'-tert-butyl-3-methylbenzenecarboximidamide
SMILESCc1cccc(/C(N)=N/C(C)(C)C)c1
InChIInChI=1S/C12H18N2/c1-9-6-5-7-10(8-9)11(13)14-12(2,3)4/h5-8H,1-4H3,(H2,13,14)
InChIKeyPJGVPJBIYCLBOF-UHFFFAOYSA-N
XLogP2.50
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.50
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'-hydroxy-3-methylbenzenecarboximidamide
CID 162202893
N'-[tert-butyl(dimethyl)silyl]oxy-3-methylbenzenecarboximidamide
CID 91697332
ethane;N'-hydrazinyl-3-methylbenzenecarboximidamide;toluene
CID 143457159
[(Z)-[amino-(3-methylphenyl)methylidene]amino] benzoate
CID 5348857
3-methylbenzoic acid
CID 7418
2-tert-butyl-1-methyl-1-[(3-methylphenyl)methyl]guanidine
CID 62363656
(E)-1-(3-methylphenyl)-N-[(E)-1-(3-methylphenyl)ethylideneamino]ethanimine
CID 138967495
3-methylbenzoic acid;nitrous acid
CID 175097452
3-methylbenzamide;2-methylpropane
CID 160767336
1,2-bis(3-methylphenyl)ethene-1,2-dithiol
CID 76563900
bis(3-methylphenyl)methanone
CID 17848
benzene-1,3-diol;3-methylbenzoic acid
CID 174723405

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-3-methylbenzenecarboximidamide?
The IUPAC name of N'-tert-butyl-3-methylbenzenecarboximidamide (CID 63181411) is N'-tert-butyl-3-methylbenzenecarboximidamide.
What is the SMILES notation for N'-tert-butyl-3-methylbenzenecarboximidamide?
The canonical SMILES for N'-tert-butyl-3-methylbenzenecarboximidamide is Cc1cccc(/C(N)=N/C(C)(C)C)c1.
What is the InChIKey of N'-tert-butyl-3-methylbenzenecarboximidamide?
The InChIKey is PJGVPJBIYCLBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-9-6-5-7-10(8-9)11(13)14-12(2,3)4/h5-8H,1-4H3,(H2,13,14).
What are the key properties of N'-tert-butyl-3-methylbenzenecarboximidamide?
N'-tert-butyl-3-methylbenzenecarboximidamide has a molecular weight of 190.29 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-3-methylbenzenecarboximidamide is sourced from PubChem (CID 63181411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).