3-tert-butyl-N'-methylbenzenecarboximidamide

C12H18N2 — CID 123779224

IUPAC3-tert-butyl-N'-methylbenzenecarboximidamide
SMILESC/N=C(\N)c1cccc(C(C)(C)C)c1
InChIInChI=1S/C12H18N2/c1-12(2,3)10-7-5-6-9(8-10)11(13)14-4/h5-8H,1-4H3,(H2,13,14)
InChIKeyMJPSPBQISHQNRD-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.32
Rot. Bonds1

About 3-tert-butyl-N'-methylbenzenecarboximidamide

3-tert-butyl-N'-methylbenzenecarboximidamide (PubChem CID 123779224) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 3-tert-butyl-N'-methylbenzenecarboximidamide.

Molecular Properties

Compound Name3-tert-butyl-N'-methylbenzenecarboximidamide
PubChem CID123779224
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name3-tert-butyl-N'-methylbenzenecarboximidamide
SMILESC/N=C(\N)c1cccc(C(C)(C)C)c1
InChIInChI=1S/C12H18N2/c1-12(2,3)10-7-5-6-9(8-10)11(13)14-4/h5-8H,1-4H3,(H2,13,14)
InChIKeyMJPSPBQISHQNRD-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
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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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N'-methylbenzenecarboximidamide?
The IUPAC name of 3-tert-butyl-N'-methylbenzenecarboximidamide (CID 123779224) is 3-tert-butyl-N'-methylbenzenecarboximidamide.
What is the SMILES notation for 3-tert-butyl-N'-methylbenzenecarboximidamide?
The canonical SMILES for 3-tert-butyl-N'-methylbenzenecarboximidamide is C/N=C(\N)c1cccc(C(C)(C)C)c1.
What is the InChIKey of 3-tert-butyl-N'-methylbenzenecarboximidamide?
The InChIKey is MJPSPBQISHQNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-12(2,3)10-7-5-6-9(8-10)11(13)14-4/h5-8H,1-4H3,(H2,13,14).
What are the key properties of 3-tert-butyl-N'-methylbenzenecarboximidamide?
3-tert-butyl-N'-methylbenzenecarboximidamide has a molecular weight of 190.29 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N'-methylbenzenecarboximidamide is sourced from PubChem (CID 123779224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).