N'-[2-[ethyl(methyl)amino]-4,6-dimethylphenyl]methanimidamide

C12H19N3 — CID 143063039

IUPACN'-[2-[ethyl(methyl)amino]-4,6-dimethylphenyl]methanimidamide
SMILESCCN(C)c1cc(C)cc(C)c1/N=C/N
InChIInChI=1S/C12H19N3/c1-5-15(4)11-7-9(2)6-10(3)12(11)14-8-13/h6-8H,5H2,1-4H3,(H2,13,14)
InChIKeyQWGRWQRFRODRBL-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.38
Rot. Bonds3

About N'-[2-[ethyl(methyl)amino]-4,6-dimethylphenyl]methanimidamide

N'-[2-[ethyl(methyl)amino]-4,6-dimethylphenyl]methanimidamide (PubChem CID 143063039) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is N'-[2-[ethyl(methyl)amino]-4,6-dimethylphenyl]methanimidamide.

Molecular Properties

Compound NameN'-[2-[ethyl(methyl)amino]-4,6-dimethylphenyl]methanimidamide
PubChem CID143063039
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC NameN'-[2-[ethyl(methyl)amino]-4,6-dimethylphenyl]methanimidamide
SMILESCCN(C)c1cc(C)cc(C)c1/N=C/N
InChIInChI=1S/C12H19N3/c1-5-15(4)11-7-9(2)6-10(3)12(11)14-8-13/h6-8H,5H2,1-4H3,(H2,13,14)
InChIKeyQWGRWQRFRODRBL-UHFFFAOYSA-N
XLogP2.38
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2-[ethyl(methyl)amino]-4,6-dimethylphenyl]methanimidamide?
The IUPAC name of N'-[2-[ethyl(methyl)amino]-4,6-dimethylphenyl]methanimidamide (CID 143063039) is N'-[2-[ethyl(methyl)amino]-4,6-dimethylphenyl]methanimidamide.
What is the SMILES notation for N'-[2-[ethyl(methyl)amino]-4,6-dimethylphenyl]methanimidamide?
The canonical SMILES for N'-[2-[ethyl(methyl)amino]-4,6-dimethylphenyl]methanimidamide is CCN(C)c1cc(C)cc(C)c1/N=C/N.
What is the InChIKey of N'-[2-[ethyl(methyl)amino]-4,6-dimethylphenyl]methanimidamide?
The InChIKey is QWGRWQRFRODRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-5-15(4)11-7-9(2)6-10(3)12(11)14-8-13/h6-8H,5H2,1-4H3,(H2,13,14).
What are the key properties of N'-[2-[ethyl(methyl)amino]-4,6-dimethylphenyl]methanimidamide?
N'-[2-[ethyl(methyl)amino]-4,6-dimethylphenyl]methanimidamide has a molecular weight of 205.30 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[ethyl(methyl)amino]-4,6-dimethylphenyl]methanimidamide is sourced from PubChem (CID 143063039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).