N'-(2-ethylphenyl)butanimidamide

C12H18N2 — CID 63178290

IUPACN'-(2-ethylphenyl)butanimidamide
SMILESCCC/C(N)=N\c1ccccc1CC
InChIInChI=1S/C12H18N2/c1-3-7-12(13)14-11-9-6-5-8-10(11)4-2/h5-6,8-9H,3-4,7H2,1-2H3,(H2,13,14)
InChIKeyHQGHRWFWEQFBAZ-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.04
Rot. Bonds4

About N'-(2-ethylphenyl)butanimidamide

N'-(2-ethylphenyl)butanimidamide (PubChem CID 63178290) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N'-(2-ethylphenyl)butanimidamide.

Molecular Properties

Compound NameN'-(2-ethylphenyl)butanimidamide
PubChem CID63178290
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN'-(2-ethylphenyl)butanimidamide
SMILESCCC/C(N)=N\c1ccccc1CC
InChIInChI=1S/C12H18N2/c1-3-7-12(13)14-11-9-6-5-8-10(11)4-2/h5-6,8-9H,3-4,7H2,1-2H3,(H2,13,14)
InChIKeyHQGHRWFWEQFBAZ-UHFFFAOYSA-N
XLogP3.04
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.04
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'-(2-propylphenyl)propanimidamide
CID 63177634
N'-(2-phenoxyphenyl)butanimidamide
CID 55159002
4-tert-butyl-N'-(2-ethylphenyl)benzenecarboximidamide
CID 121403211
2-(2-ethylphenyl)iminopentanedioate
CID 8008003
5-chloro-2-N,3-N-bis(2-ethylphenyl)pentane-2,3-diimine
CID 87163235
N-(2-ethylphenyl)-2,2,2-trifluoroethanimidoyl iodide
CID 14930845
2-(2-ethylphenyl)-1-(3-ethylphenyl)guanidine
CID 10587917
3-[2-[(1-amino-2-chloroethylidene)amino]phenyl]-N-methylpropanamide
CID 169365900
3-[2-[(1-amino-2-chloroethylidene)amino]phenyl]-N,N-dimethylpropanamide
CID 169367026
2-(2-ethylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride
CID 45265059
N'-(4-bromo-2,3-dichlorophenyl)butanimidamide
CID 107794166
N'-[2-(2-aminoethyl)phenyl]-2-methylsulfanylethanimidamide
CID 149344131

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethylphenyl)butanimidamide?
The IUPAC name of N'-(2-ethylphenyl)butanimidamide (CID 63178290) is N'-(2-ethylphenyl)butanimidamide.
What is the SMILES notation for N'-(2-ethylphenyl)butanimidamide?
The canonical SMILES for N'-(2-ethylphenyl)butanimidamide is CCC/C(N)=N\c1ccccc1CC.
What is the InChIKey of N'-(2-ethylphenyl)butanimidamide?
The InChIKey is HQGHRWFWEQFBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-3-7-12(13)14-11-9-6-5-8-10(11)4-2/h5-6,8-9H,3-4,7H2,1-2H3,(H2,13,14).
What are the key properties of N'-(2-ethylphenyl)butanimidamide?
N'-(2-ethylphenyl)butanimidamide has a molecular weight of 190.29 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethylphenyl)butanimidamide is sourced from PubChem (CID 63178290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).