2-methyl-N'-[1-(2-methylphenyl)ethyl]propanimidamide

C13H20N2 — CID 63177928

IUPAC2-methyl-N'-[1-(2-methylphenyl)ethyl]propanimidamide
SMILESCc1ccccc1C(C)/N=C(/N)C(C)C
InChIInChI=1S/C13H20N2/c1-9(2)13(14)15-11(4)12-8-6-5-7-10(12)3/h5-9,11H,1-4H3,(H2,14,15)
InChIKeyQUAARPIHKDVTEY-UHFFFAOYSA-N
MW204.32 g/mol
LogP3.07
Rot. Bonds3

About 2-methyl-N'-[1-(2-methylphenyl)ethyl]propanimidamide

2-methyl-N'-[1-(2-methylphenyl)ethyl]propanimidamide (PubChem CID 63177928) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 2-methyl-N'-[1-(2-methylphenyl)ethyl]propanimidamide.

Molecular Properties

Compound Name2-methyl-N'-[1-(2-methylphenyl)ethyl]propanimidamide
PubChem CID63177928
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name2-methyl-N'-[1-(2-methylphenyl)ethyl]propanimidamide
SMILESCc1ccccc1C(C)/N=C(/N)C(C)C
InChIInChI=1S/C13H20N2/c1-9(2)13(14)15-11(4)12-8-6-5-7-10(12)3/h5-9,11H,1-4H3,(H2,14,15)
InChIKeyQUAARPIHKDVTEY-UHFFFAOYSA-N
XLogP3.07
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.07
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'-[1-(2-methylphenyl)ethyl]benzenecarboximidamide
CID 63177992
(2S)-N'-hydroxy-2-(2-methylphenyl)propanimidamide
CID 100829661
methyl-[1-(2-methylphenyl)ethyl]diazene
CID 54389923
2-(2-methylphenyl)propanamide;dihydrochloride
CID 162317897
bis((1S)-1-(2-methylphenyl)ethanamine);dihydrochloride
CID 134129357
(1R,2S)-1-amino-1-(2-methylphenyl)propan-2-ol;hydrochloride
CID 171160087
1-methyl-2-[2-methyl-1-(2-methylphenyl)propyl]benzene
CID 14267704
(1S,2R)-1-amino-3-methyl-1-(2-methylphenyl)butan-2-ol
CID 130701027
2-bromo-2-(2-methylphenyl)acetamide
CID 19981756
1-hydroxy-3-methyl-1-(2-methylphenyl)butan-2-one
CID 59036554
O-[1-(2-methylphenyl)ethyl]hydroxylamine
CID 117104896
3-methyl-4-(2-methylphenyl)pentanamide
CID 175805571

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[1-(2-methylphenyl)ethyl]propanimidamide?
The IUPAC name of 2-methyl-N'-[1-(2-methylphenyl)ethyl]propanimidamide (CID 63177928) is 2-methyl-N'-[1-(2-methylphenyl)ethyl]propanimidamide.
What is the SMILES notation for 2-methyl-N'-[1-(2-methylphenyl)ethyl]propanimidamide?
The canonical SMILES for 2-methyl-N'-[1-(2-methylphenyl)ethyl]propanimidamide is Cc1ccccc1C(C)/N=C(/N)C(C)C.
What is the InChIKey of 2-methyl-N'-[1-(2-methylphenyl)ethyl]propanimidamide?
The InChIKey is QUAARPIHKDVTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-9(2)13(14)15-11(4)12-8-6-5-7-10(12)3/h5-9,11H,1-4H3,(H2,14,15).
What are the key properties of 2-methyl-N'-[1-(2-methylphenyl)ethyl]propanimidamide?
2-methyl-N'-[1-(2-methylphenyl)ethyl]propanimidamide has a molecular weight of 204.32 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[1-(2-methylphenyl)ethyl]propanimidamide is sourced from PubChem (CID 63177928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).