N-(2,5-dimethylphenyl)-N'-ethylmethanimidamide

C11H16N2 — CID 135275915

IUPACN-(2,5-dimethylphenyl)-N'-ethylmethanimidamide
SMILESCC/N=C/Nc1cc(C)ccc1C
InChIInChI=1S/C11H16N2/c1-4-12-8-13-11-7-9(2)5-6-10(11)3/h5-8H,4H2,1-3H3,(H,12,13)
InChIKeyNNSZTIINUURWAA-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.76
Rot. Bonds3

About N-(2,5-dimethylphenyl)-N'-ethylmethanimidamide

N-(2,5-dimethylphenyl)-N'-ethylmethanimidamide (PubChem CID 135275915) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-N'-ethylmethanimidamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-N'-ethylmethanimidamide
PubChem CID135275915
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC NameN-(2,5-dimethylphenyl)-N'-ethylmethanimidamide
SMILESCC/N=C/Nc1cc(C)ccc1C
InChIInChI=1S/C11H16N2/c1-4-12-8-13-11-7-9(2)5-6-10(11)3/h5-8H,4H2,1-3H3,(H,12,13)
InChIKeyNNSZTIINUURWAA-UHFFFAOYSA-N
XLogP2.76
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.76
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-(2,5-dimethylphenyl)methanethioamide
CID 123161887
N-(2,5-dimethylphenyl)formamide;methane
CID 143644510
N-chloro-2,5-dimethylaniline
CID 141218472
N-bromo-2,5-dimethylaniline
CID 154170384
2,5-dimethyl-N-[(E)-2-(4-methylphenyl)prop-1-enyl]aniline
CID 59110370
N-(2,5-dimethylphenyl)ethanesulfonamide
CID 902936
N'-(2,5-dimethylphenyl)ethane-1,2-diamine
CID 12666397
N-[(E)-3-chloroprop-2-enyl]-2,5-dimethylaniline
CID 103791906
N-(2-ethoxyethyl)-2,5-dimethylaniline
CID 43387810
N-(2,5-dimethylphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28585840
2-[carboxymethyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]acetic acid
CID 12552996
2-N-(2,5-dimethylphenyl)-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 7589380

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-N'-ethylmethanimidamide?
The IUPAC name of N-(2,5-dimethylphenyl)-N'-ethylmethanimidamide (CID 135275915) is N-(2,5-dimethylphenyl)-N'-ethylmethanimidamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-N'-ethylmethanimidamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-N'-ethylmethanimidamide is CC/N=C/Nc1cc(C)ccc1C.
What is the InChIKey of N-(2,5-dimethylphenyl)-N'-ethylmethanimidamide?
The InChIKey is NNSZTIINUURWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-4-12-8-13-11-7-9(2)5-6-10(11)3/h5-8H,4H2,1-3H3,(H,12,13).
What are the key properties of N-(2,5-dimethylphenyl)-N'-ethylmethanimidamide?
N-(2,5-dimethylphenyl)-N'-ethylmethanimidamide has a molecular weight of 176.26 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-N'-ethylmethanimidamide is sourced from PubChem (CID 135275915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).