N-amino-N'-methyl-2-phenylethanimidamide

C9H13N3 — CID 15751724

IUPACN-amino-N'-methyl-2-phenylethanimidamide
SMILESC/N=C(/Cc1ccccc1)NN
InChIInChI=1S/C9H13N3/c1-11-9(12-10)7-8-5-3-2-4-6-8/h2-6H,7,10H2,1H3,(H,11,12)
InChIKeyOCQCMDQMWIFMJN-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.72
Rot. Bonds2

About N-amino-N'-methyl-2-phenylethanimidamide

N-amino-N'-methyl-2-phenylethanimidamide (PubChem CID 15751724) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is N-amino-N'-methyl-2-phenylethanimidamide.

Molecular Properties

Compound NameN-amino-N'-methyl-2-phenylethanimidamide
PubChem CID15751724
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC NameN-amino-N'-methyl-2-phenylethanimidamide
SMILESC/N=C(/Cc1ccccc1)NN
InChIInChI=1S/C9H13N3/c1-11-9(12-10)7-8-5-3-2-4-6-8/h2-6H,7,10H2,1H3,(H,11,12)
InChIKeyOCQCMDQMWIFMJN-UHFFFAOYSA-N
XLogP0.72
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-amino-N'-methyl-2-naphthalen-2-ylethanimidamide
CID 61362667
N-amino-2-(3-fluorophenyl)-N'-methylethanimidamide
CID 61362476
N-benzyl-2-(4-hydroxyphenyl)-N'-methylethanimidamide
CID 129113228
N-amino-N'-cycloheptyl-2-phenylethanimidamide
CID 61360529
N-ethyl-N'-methyl-3-phenylpropanimidamide
CID 15880904
(E)-1-phenylpropan-2-ylidenehydrazine
CID 15578189
O-methyl 2-phenylethaneselenoate
CID 15646646
[(Z)-2,3-dibromo-4-phenylbut-2-enyl]benzene
CID 98512768
1,4-diphenylbut-2-ene-2,3-diamine
CID 67744417
N-amino-2-(2-methylphenyl)-N'-phenylethanimidamide
CID 61363318
N,N'-diamino-3-(benzylamino)propanimidamide
CID 156850066
2-methylimino-1,3-diphenylpropan-1-one
CID 57257488

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-methyl-2-phenylethanimidamide?
The IUPAC name of N-amino-N'-methyl-2-phenylethanimidamide (CID 15751724) is N-amino-N'-methyl-2-phenylethanimidamide.
What is the SMILES notation for N-amino-N'-methyl-2-phenylethanimidamide?
The canonical SMILES for N-amino-N'-methyl-2-phenylethanimidamide is C/N=C(/Cc1ccccc1)NN.
What is the InChIKey of N-amino-N'-methyl-2-phenylethanimidamide?
The InChIKey is OCQCMDQMWIFMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-11-9(12-10)7-8-5-3-2-4-6-8/h2-6H,7,10H2,1H3,(H,11,12).
What are the key properties of N-amino-N'-methyl-2-phenylethanimidamide?
N-amino-N'-methyl-2-phenylethanimidamide has a molecular weight of 163.22 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-methyl-2-phenylethanimidamide is sourced from PubChem (CID 15751724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).