N'-methyl-N-[(4-methylphenyl)methyl]ethanimidamide

C11H16N2 — CID 143932389

IUPACN'-methyl-N-[(4-methylphenyl)methyl]ethanimidamide
SMILESC/N=C(\C)NCc1ccc(C)cc1
InChIInChI=1S/C11H16N2/c1-9-4-6-11(7-5-9)8-13-10(2)12-3/h4-7H,8H2,1-3H3,(H,12,13)
InChIKeyGSWKJSGQVVNXRV-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.13
Rot. Bonds2

About N'-methyl-N-[(4-methylphenyl)methyl]ethanimidamide

N'-methyl-N-[(4-methylphenyl)methyl]ethanimidamide (PubChem CID 143932389) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is N'-methyl-N-[(4-methylphenyl)methyl]ethanimidamide.

Molecular Properties

Compound NameN'-methyl-N-[(4-methylphenyl)methyl]ethanimidamide
PubChem CID143932389
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC NameN'-methyl-N-[(4-methylphenyl)methyl]ethanimidamide
SMILESC/N=C(\C)NCc1ccc(C)cc1
InChIInChI=1S/C11H16N2/c1-9-4-6-11(7-5-9)8-13-10(2)12-3/h4-7H,8H2,1-3H3,(H,12,13)
InChIKeyGSWKJSGQVVNXRV-UHFFFAOYSA-N
XLogP2.13
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.13
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

1-benzyl-2-methyl-3-[(4-methylphenyl)methyl]guanidine
CID 110953592
N,N'-bis[(4-methylphenyl)methyl]oxamide
CID 3116969
2-methyl-1-[(4-methylphenyl)methyl]-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine
CID 111243917
2-methyl-1-[(4-methylphenyl)methyl]-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111243916
4-[(4-methylphenyl)methylamino]pent-3-en-2-one
CID 4854696
(4-methylphenyl)methylthiourea;hydrochloride
CID 22226303
N',4-dimethyl-N-[(4-methylphenyl)methyl]piperidine-1-carboximidamide
CID 111212093
1-(3-methoxypropyl)-2-methyl-3-[(4-methylphenyl)methyl]guanidine
CID 110975071
1-[(3-fluorophenyl)methyl]-2-methyl-3-[(4-methylphenyl)methyl]guanidine
CID 111244599
2-methyl-1-[(4-methylphenyl)methyl]-3-[(3-methylthiophen-2-yl)methyl]guanidine
CID 111245281
N-[(4-methylphenyl)methyl]ethanamine
CID 4716476
N-ethyl-N'-[(4-methylphenyl)methyl]oxamide
CID 2291435

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[(4-methylphenyl)methyl]ethanimidamide?
The IUPAC name of N'-methyl-N-[(4-methylphenyl)methyl]ethanimidamide (CID 143932389) is N'-methyl-N-[(4-methylphenyl)methyl]ethanimidamide.
What is the SMILES notation for N'-methyl-N-[(4-methylphenyl)methyl]ethanimidamide?
The canonical SMILES for N'-methyl-N-[(4-methylphenyl)methyl]ethanimidamide is C/N=C(\C)NCc1ccc(C)cc1.
What is the InChIKey of N'-methyl-N-[(4-methylphenyl)methyl]ethanimidamide?
The InChIKey is GSWKJSGQVVNXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-9-4-6-11(7-5-9)8-13-10(2)12-3/h4-7H,8H2,1-3H3,(H,12,13).
What are the key properties of N'-methyl-N-[(4-methylphenyl)methyl]ethanimidamide?
N'-methyl-N-[(4-methylphenyl)methyl]ethanimidamide has a molecular weight of 176.26 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(4-methylphenyl)methyl]ethanimidamide is sourced from PubChem (CID 143932389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).