N'-[3-(methylaminomethyl)phenyl]ethanimidamide

C10H15N3 — CID 10569061

IUPACN'-[3-(methylaminomethyl)phenyl]ethanimidamide
SMILESCNCc1cccc(/N=C(\C)N)c1
InChIInChI=1S/C10H15N3/c1-8(11)13-10-5-3-4-9(6-10)7-12-2/h3-6,12H,7H2,1-2H3,(H2,11,13)
InChIKeyVQOMTZBTOWIOMK-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.41
Rot. Bonds3

About N'-[3-(methylaminomethyl)phenyl]ethanimidamide

N'-[3-(methylaminomethyl)phenyl]ethanimidamide (PubChem CID 10569061) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is N'-[3-(methylaminomethyl)phenyl]ethanimidamide.

Molecular Properties

Compound NameN'-[3-(methylaminomethyl)phenyl]ethanimidamide
PubChem CID10569061
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC NameN'-[3-(methylaminomethyl)phenyl]ethanimidamide
SMILESCNCc1cccc(/N=C(\C)N)c1
InChIInChI=1S/C10H15N3/c1-8(11)13-10-5-3-4-9(6-10)7-12-2/h3-6,12H,7H2,1-2H3,(H2,11,13)
InChIKeyVQOMTZBTOWIOMK-UHFFFAOYSA-N
XLogP1.41
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.41
H-Bond Donors ≤ 52
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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Related Compounds

N-ethyl-3-methylaniline
CID 7603
Propanenitrile, 3-[(3-methylphenyl)amino]-
CID 119683
Benzenamine, N,3-dimethyl-
CID 69675
N-(3-methylphenyl)imidodicarbonimidic diamide
CID 29667
N-(3-Aminomethyl-phenyl)-2-fluoro-acetamidine
CID 10176386
N-(3-Dimethylaminomethyl-phenyl)-acetamidine
CID 10521987
N-[3-(2-Amino-ethyl)-phenyl]-acetamidine
CID 10562607
N-(3-Aminomethyl-phenyl)-2-methylsulfanyl-acetamidine
CID 10761718
3-Acetimidoylamino-benzamidine
CID 10776989
2-Amino-N-(3-aminomethyl-phenyl)-acetamidine
CID 10788294
(4,5-Dihydro-1H-imidazol-2-ylmethyl)-p-tolyl-amine
CID 13123527
N-(3-Aminomethyl-phenyl)-acetamidine
CID 18356525

Frequently Asked Questions

What is the IUPAC name of N'-[3-(methylaminomethyl)phenyl]ethanimidamide?
The IUPAC name of N'-[3-(methylaminomethyl)phenyl]ethanimidamide (CID 10569061) is N'-[3-(methylaminomethyl)phenyl]ethanimidamide.
What is the SMILES notation for N'-[3-(methylaminomethyl)phenyl]ethanimidamide?
The canonical SMILES for N'-[3-(methylaminomethyl)phenyl]ethanimidamide is CNCc1cccc(/N=C(\C)N)c1.
What is the InChIKey of N'-[3-(methylaminomethyl)phenyl]ethanimidamide?
The InChIKey is VQOMTZBTOWIOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-8(11)13-10-5-3-4-9(6-10)7-12-2/h3-6,12H,7H2,1-2H3,(H2,11,13).
What are the key properties of N'-[3-(methylaminomethyl)phenyl]ethanimidamide?
N'-[3-(methylaminomethyl)phenyl]ethanimidamide has a molecular weight of 177.25 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(methylaminomethyl)phenyl]ethanimidamide is sourced from PubChem (CID 10569061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).