N'-ethyl-N-ethylidene-4-methylbenzenecarboximidamide

C12H16N2 — CID 145161963

IUPACN'-ethyl-N-ethylidene-4-methylbenzenecarboximidamide
SMILESC/C=N/C(=N\CC)c1ccc(C)cc1
InChIInChI=1S/C12H16N2/c1-4-13-12(14-5-2)11-8-6-10(3)7-9-11/h4,6-9H,5H2,1-3H3/b13-4+,14-12-
InChIKeyMMBLLVIDKPHFMO-NAQNOARYSA-N
MW188.27 g/mol
LogP2.85
Rot. Bonds2

About N'-ethyl-N-ethylidene-4-methylbenzenecarboximidamide

N'-ethyl-N-ethylidene-4-methylbenzenecarboximidamide (PubChem CID 145161963) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is N'-ethyl-N-ethylidene-4-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-ethyl-N-ethylidene-4-methylbenzenecarboximidamide
PubChem CID145161963
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC NameN'-ethyl-N-ethylidene-4-methylbenzenecarboximidamide
SMILESC/C=N/C(=N\CC)c1ccc(C)cc1
InChIInChI=1S/C12H16N2/c1-4-13-12(14-5-2)11-8-6-10(3)7-9-11/h4,6-9H,5H2,1-3H3/b13-4+,14-12-
InChIKeyMMBLLVIDKPHFMO-NAQNOARYSA-N
XLogP2.85
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.85
H-Bond Donors ≤ 50
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-methyl-4-[(2Z,6Z)-6-(4-methylphenyl)octa-2,6-dien-3-yl]benzene
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CID 67275749
1-[(Z)-but-2-en-2-yl]-4-methylbenzene
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1-but-2-en-2-yl-4-methylbenzene
CID 12583115
acetaldehyde;4-methylbenzoic acid
CID 88694515
N-ethyl-1-(4-methylphenyl)-3-(4-propan-2-ylphenyl)propan-1-imine
CID 123650525
N-ethylethanamine;4-methylbenzoic acid;hydrochloride
CID 70353641
1-methyl-4-[(E)-1-phenylbut-1-enyl]benzene
CID 102093677
N-[1-(4-methylphenyl)propylidene]hydroxylamine
CID 7174004
1-[2-[2,2-bis(4-methylphenyl)ethenylsulfanyl]-1-(4-methylphenyl)ethenyl]-4-methylbenzene
CID 175983739
N-(dimethylaminomethylidene)-4-fluoro-N'-(4-methylphenyl)benzenecarboximidamide
CID 13111313
(Z)-N-[1-(4-methylphenyl)ethenyl]but-2-en-1-imine
CID 144810158

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-ethylidene-4-methylbenzenecarboximidamide?
The IUPAC name of N'-ethyl-N-ethylidene-4-methylbenzenecarboximidamide (CID 145161963) is N'-ethyl-N-ethylidene-4-methylbenzenecarboximidamide.
What is the SMILES notation for N'-ethyl-N-ethylidene-4-methylbenzenecarboximidamide?
The canonical SMILES for N'-ethyl-N-ethylidene-4-methylbenzenecarboximidamide is C/C=N/C(=N\CC)c1ccc(C)cc1.
What is the InChIKey of N'-ethyl-N-ethylidene-4-methylbenzenecarboximidamide?
The InChIKey is MMBLLVIDKPHFMO-NAQNOARYSA-N. The full InChI is InChI=1S/C12H16N2/c1-4-13-12(14-5-2)11-8-6-10(3)7-9-11/h4,6-9H,5H2,1-3H3/b13-4+,14-12-.
What are the key properties of N'-ethyl-N-ethylidene-4-methylbenzenecarboximidamide?
N'-ethyl-N-ethylidene-4-methylbenzenecarboximidamide has a molecular weight of 188.27 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-ethylidene-4-methylbenzenecarboximidamide is sourced from PubChem (CID 145161963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).