N'-[4-(aminomethyl)phenyl]ethanimidamide

C9H13N3 — CID 10496245

IUPACN'-[4-(aminomethyl)phenyl]ethanimidamide
SMILESC/C(N)=N\c1ccc(CN)cc1
InChIInChI=1S/C9H13N3/c1-7(11)12-9-4-2-8(6-10)3-5-9/h2-5H,6,10H2,1H3,(H2,11,12)
InChIKeyGLCULUKDRPGZSJ-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.15
Rot. Bonds2

About N'-[4-(aminomethyl)phenyl]ethanimidamide

N'-[4-(aminomethyl)phenyl]ethanimidamide (PubChem CID 10496245) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is N'-[4-(aminomethyl)phenyl]ethanimidamide.

Molecular Properties

Compound NameN'-[4-(aminomethyl)phenyl]ethanimidamide
PubChem CID10496245
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC NameN'-[4-(aminomethyl)phenyl]ethanimidamide
SMILESC/C(N)=N\c1ccc(CN)cc1
InChIInChI=1S/C9H13N3/c1-7(11)12-9-4-2-8(6-10)3-5-9/h2-5H,6,10H2,1H3,(H2,11,12)
InChIKeyGLCULUKDRPGZSJ-UHFFFAOYSA-N
XLogP1.15
TPSA64.40 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 ≤ 51.15
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

p-Aminobenzamidine
CID 1725
o-Tolylbiguanide
CID 7155
Benzenecarboximidamide, 4-amino-, hydrochloride (1:1)
CID 122765
1-carbamimidamido-N-(4-methylphenyl)methanimidamide
CID 2730263
Imidodicarbonimidic diamide, N-(2,4-dimethylphenyl)-
CID 20879
N-Phenylbenzamidine
CID 200127
1-(4-Cyanophenyl)guanidine
CID 17747914
4-Aminobenzylamine
CID 427814
Di-p-tolylcarbodiimide
CID 69763
Benzenemethanamine, 4-amino-N,N-dimethyl-
CID 308051
N-[4-(trifluoromethyl)phenyl]guanidine
CID 19841587
N-p-Tolyl-guanidine
CID 409364

Frequently Asked Questions

What is the IUPAC name of N'-[4-(aminomethyl)phenyl]ethanimidamide?
The IUPAC name of N'-[4-(aminomethyl)phenyl]ethanimidamide (CID 10496245) is N'-[4-(aminomethyl)phenyl]ethanimidamide.
What is the SMILES notation for N'-[4-(aminomethyl)phenyl]ethanimidamide?
The canonical SMILES for N'-[4-(aminomethyl)phenyl]ethanimidamide is C/C(N)=N\c1ccc(CN)cc1.
What is the InChIKey of N'-[4-(aminomethyl)phenyl]ethanimidamide?
The InChIKey is GLCULUKDRPGZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-7(11)12-9-4-2-8(6-10)3-5-9/h2-5H,6,10H2,1H3,(H2,11,12).
What are the key properties of N'-[4-(aminomethyl)phenyl]ethanimidamide?
N'-[4-(aminomethyl)phenyl]ethanimidamide has a molecular weight of 163.22 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(aminomethyl)phenyl]ethanimidamide is sourced from PubChem (CID 10496245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).