4-tert-butyl-N,N-dimethylbenzenecarboximidamide;4-tert-butyl-N'-methylbenzenecarboximidamide

C25H38N4 — CID 160588408

IUPAC4-tert-butyl-N,N-dimethylbenzenecarboximidamide;4-tert-butyl-N'-methylbenzenecarboximidamide
SMILESC/N=C(\N)c1ccc(C(C)(C)C)cc1.[H]/N=C(/c1ccc(C(C)(C)C)cc1)N(C)C
InChIInChI=1S/C13H20N2.C12H18N2/c1-13(2,3)11-8-6-10(7-9-11)12(14)15(4)5;1-12(2,3)10-7-5-9(6-8-10)11(13)14-4/h6-9,14H,1-5H3;5-8H,1-4H3,(H2,13,14)/b14-12-;
InChIKeyRCRRPWQHCRHUMR-CTMPBGLUSA-N
MW394.61 g/mol
LogP5.19
Rot. Bonds2

About 4-tert-butyl-N,N-dimethylbenzenecarboximidamide;4-tert-butyl-N'-methylbenzenecarboximidamide

4-tert-butyl-N,N-dimethylbenzenecarboximidamide;4-tert-butyl-N'-methylbenzenecarboximidamide (PubChem CID 160588408) has the molecular formula C25H38N4 and a molecular weight of 394.61 g/mol. Its IUPAC name is 4-tert-butyl-N,N-dimethylbenzenecarboximidamide;4-tert-butyl-N'-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-tert-butyl-N,N-dimethylbenzenecarboximidamide;4-tert-butyl-N'-methylbenzenecarboximidamide
PubChem CID160588408
Molecular FormulaC25H38N4
Molecular Weight394.61 g/mol
Exact Mass394.31
IUPAC Name4-tert-butyl-N,N-dimethylbenzenecarboximidamide;4-tert-butyl-N'-methylbenzenecarboximidamide
SMILESC/N=C(\N)c1ccc(C(C)(C)C)cc1.[H]/N=C(/c1ccc(C(C)(C)C)cc1)N(C)C
InChIInChI=1S/C13H20N2.C12H18N2/c1-13(2,3)11-8-6-10(7-9-11)12(14)15(4)5;1-12(2,3)10-7-5-9(6-8-10)11(13)14-4/h6-9,14H,1-5H3;5-8H,1-4H3,(H2,13,14)/b14-12-;
InChIKeyRCRRPWQHCRHUMR-CTMPBGLUSA-N
XLogP5.19
TPSA65.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.61
LogP ≤ 55.19
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N,N-dimethylbenzenecarboximidamide;4-tert-butyl-N'-methylbenzenecarboximidamide?
The IUPAC name of 4-tert-butyl-N,N-dimethylbenzenecarboximidamide;4-tert-butyl-N'-methylbenzenecarboximidamide (CID 160588408) is 4-tert-butyl-N,N-dimethylbenzenecarboximidamide;4-tert-butyl-N'-methylbenzenecarboximidamide.
What is the SMILES notation for 4-tert-butyl-N,N-dimethylbenzenecarboximidamide;4-tert-butyl-N'-methylbenzenecarboximidamide?
The canonical SMILES for 4-tert-butyl-N,N-dimethylbenzenecarboximidamide;4-tert-butyl-N'-methylbenzenecarboximidamide is C/N=C(\N)c1ccc(C(C)(C)C)cc1.[H]/N=C(/c1ccc(C(C)(C)C)cc1)N(C)C.
What is the InChIKey of 4-tert-butyl-N,N-dimethylbenzenecarboximidamide;4-tert-butyl-N'-methylbenzenecarboximidamide?
The InChIKey is RCRRPWQHCRHUMR-CTMPBGLUSA-N. The full InChI is InChI=1S/C13H20N2.C12H18N2/c1-13(2,3)11-8-6-10(7-9-11)12(14)15(4)5;1-12(2,3)10-7-5-9(6-8-10)11(13)14-4/h6-9,14H,1-5H3;5-8H,1-4H3,(H2,13,14)/b14-12-;.
What are the key properties of 4-tert-butyl-N,N-dimethylbenzenecarboximidamide;4-tert-butyl-N'-methylbenzenecarboximidamide?
4-tert-butyl-N,N-dimethylbenzenecarboximidamide;4-tert-butyl-N'-methylbenzenecarboximidamide has a molecular weight of 394.61 g/mol, XLogP of 5.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N,N-dimethylbenzenecarboximidamide;4-tert-butyl-N'-methylbenzenecarboximidamide is sourced from PubChem (CID 160588408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).