2,5-dimethyl-N'-(2-methylprop-1-enyl)benzenecarboximidamide

C13H18N2 — CID 143963962

IUPAC2,5-dimethyl-N'-(2-methylprop-1-enyl)benzenecarboximidamide
SMILESCC(C)=C/N=C(\N)c1cc(C)ccc1C
InChIInChI=1S/C13H18N2/c1-9(2)8-15-13(14)12-7-10(3)5-6-11(12)4/h5-8H,1-4H3,(H2,14,15)
InChIKeyHOFKQUQPMQKHOB-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.93
Rot. Bonds2

About 2,5-dimethyl-N'-(2-methylprop-1-enyl)benzenecarboximidamide

2,5-dimethyl-N'-(2-methylprop-1-enyl)benzenecarboximidamide (PubChem CID 143963962) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2,5-dimethyl-N'-(2-methylprop-1-enyl)benzenecarboximidamide.

Molecular Properties

Compound Name2,5-dimethyl-N'-(2-methylprop-1-enyl)benzenecarboximidamide
PubChem CID143963962
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name2,5-dimethyl-N'-(2-methylprop-1-enyl)benzenecarboximidamide
SMILESCC(C)=C/N=C(\N)c1cc(C)ccc1C
InChIInChI=1S/C13H18N2/c1-9(2)8-15-13(14)12-7-10(3)5-6-11(12)4/h5-8H,1-4H3,(H2,14,15)
InChIKeyHOFKQUQPMQKHOB-UHFFFAOYSA-N
XLogP2.93
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.93
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

(Z)-1-(2,5-dimethylphenyl)prop-1-en-1-amine
CID 144516209
2-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]guanidine
CID 9017468
(Z)-1,2-bis(2,5-dimethylphenyl)ethene-1,2-diol
CID 126634568
N'-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]oxamide
CID 9120782
nitroso 2,5-dimethylbenzoate
CID 175399120
(E)-3-(2,5-dimethylphenyl)but-2-enenitrile
CID 46919401
(E)-1-(2,5-dimethylphenyl)-N-ethoxyethanimine
CID 89246077
[[amino(phenyl)methylidene]amino] 2,5-dimethylbenzoate
CID 2952842
[[[amino-(2-methylphenyl)methylidene]amino]-(2-hydroxy-5-methylphenyl)methylidene]azanium
CID 142975902
1,4-dimethyl-2-[(E)-3-methylpent-2-en-2-yl]benzene
CID 167484189
2-fluoro-N'-hydroxy-4-methylbenzenecarboximidamide
CID 125466399
(Z)-2-(2,5-dimethylphenyl)but-2-enenitrile
CID 82074810

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N'-(2-methylprop-1-enyl)benzenecarboximidamide?
The IUPAC name of 2,5-dimethyl-N'-(2-methylprop-1-enyl)benzenecarboximidamide (CID 143963962) is 2,5-dimethyl-N'-(2-methylprop-1-enyl)benzenecarboximidamide.
What is the SMILES notation for 2,5-dimethyl-N'-(2-methylprop-1-enyl)benzenecarboximidamide?
The canonical SMILES for 2,5-dimethyl-N'-(2-methylprop-1-enyl)benzenecarboximidamide is CC(C)=C/N=C(\N)c1cc(C)ccc1C.
What is the InChIKey of 2,5-dimethyl-N'-(2-methylprop-1-enyl)benzenecarboximidamide?
The InChIKey is HOFKQUQPMQKHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-9(2)8-15-13(14)12-7-10(3)5-6-11(12)4/h5-8H,1-4H3,(H2,14,15).
What are the key properties of 2,5-dimethyl-N'-(2-methylprop-1-enyl)benzenecarboximidamide?
2,5-dimethyl-N'-(2-methylprop-1-enyl)benzenecarboximidamide has a molecular weight of 202.30 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N'-(2-methylprop-1-enyl)benzenecarboximidamide is sourced from PubChem (CID 143963962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).