2-methyl-N'-[(3-methylphenyl)methyl]butanimidamide

C13H20N2 — CID 123979785

IUPAC2-methyl-N'-[(3-methylphenyl)methyl]butanimidamide
SMILESCCC(C)/C(N)=N/Cc1cccc(C)c1
InChIInChI=1S/C13H20N2/c1-4-11(3)13(14)15-9-12-7-5-6-10(2)8-12/h5-8,11H,4,9H2,1-3H3,(H2,14,15)
InChIKeyTXYHPBZZDFQCQX-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.90
Rot. Bonds4

About 2-methyl-N'-[(3-methylphenyl)methyl]butanimidamide

2-methyl-N'-[(3-methylphenyl)methyl]butanimidamide (PubChem CID 123979785) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 2-methyl-N'-[(3-methylphenyl)methyl]butanimidamide.

Molecular Properties

Compound Name2-methyl-N'-[(3-methylphenyl)methyl]butanimidamide
PubChem CID123979785
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name2-methyl-N'-[(3-methylphenyl)methyl]butanimidamide
SMILESCCC(C)/C(N)=N/Cc1cccc(C)c1
InChIInChI=1S/C13H20N2/c1-4-11(3)13(14)15-9-12-7-5-6-10(2)8-12/h5-8,11H,4,9H2,1-3H3,(H2,14,15)
InChIKeyTXYHPBZZDFQCQX-UHFFFAOYSA-N
XLogP2.90
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.90
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

1-amino-2-[(3-methylphenyl)methyl]guanidine
CID 64868829
1-(3-methylbutyl)-2-[(3-methylphenyl)methyl]guanidine;hydroiodide
CID 111046250
3-methyl-1-(3-methylphenyl)pentan-2-one
CID 62388886
1-butan-2-yl-3-ethyl-2-[(3-methylphenyl)methyl]guanidine;hydroiodide
CID 110946251
1,1,3,3-tetramethyl-2-[(3-methylphenyl)methyl]guanidine;hydroiodide
CID 111046282
2-[(3-methylphenyl)methyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111046293
1-cyclopropyl-2-[(3-methylphenyl)methyl]guanidine
CID 62361764
N-[3-[[[amino-(4-methylanilino)methylidene]amino]methyl]phenyl]-2-methylbutanamide
CID 111052411
N'-hydroxy-2-[(3-methylphenyl)methylsulfanyl]butanimidamide
CID 76948913
1-[2-[butan-2-yl(methyl)amino]ethyl]-3-ethyl-2-[(3-methylphenyl)methyl]guanidine;hydroiodide
CID 111900250
3-methyl-1-(3-methylphenyl)pentan-2-amine
CID 62388327
N-cyano-N'-[(3-methylphenyl)methyl]ethanimidamide
CID 10219732

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[(3-methylphenyl)methyl]butanimidamide?
The IUPAC name of 2-methyl-N'-[(3-methylphenyl)methyl]butanimidamide (CID 123979785) is 2-methyl-N'-[(3-methylphenyl)methyl]butanimidamide.
What is the SMILES notation for 2-methyl-N'-[(3-methylphenyl)methyl]butanimidamide?
The canonical SMILES for 2-methyl-N'-[(3-methylphenyl)methyl]butanimidamide is CCC(C)/C(N)=N/Cc1cccc(C)c1.
What is the InChIKey of 2-methyl-N'-[(3-methylphenyl)methyl]butanimidamide?
The InChIKey is TXYHPBZZDFQCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-4-11(3)13(14)15-9-12-7-5-6-10(2)8-12/h5-8,11H,4,9H2,1-3H3,(H2,14,15).
What are the key properties of 2-methyl-N'-[(3-methylphenyl)methyl]butanimidamide?
2-methyl-N'-[(3-methylphenyl)methyl]butanimidamide has a molecular weight of 204.32 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[(3-methylphenyl)methyl]butanimidamide is sourced from PubChem (CID 123979785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).