N'-[[3-(aminomethyl)phenyl]methyl]ethanimidamide

C10H15N3 — CID 1433

IUPACN'-[[3-(aminomethyl)phenyl]methyl]ethanimidamide
SMILESC/C(N)=N\Cc1cccc(CN)c1
InChIInChI=1S/C10H15N3/c1-8(12)13-7-10-4-2-3-9(5-10)6-11/h2-5H,6-7,11H2,1H3,(H2,12,13)
InChIKeyRODUKNYOEVZQPR-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.02
Rot. Bonds3

About N'-[[3-(aminomethyl)phenyl]methyl]ethanimidamide

N'-[[3-(aminomethyl)phenyl]methyl]ethanimidamide (PubChem CID 1433) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is N'-[[3-(aminomethyl)phenyl]methyl]ethanimidamide.

Molecular Properties

Compound NameN'-[[3-(aminomethyl)phenyl]methyl]ethanimidamide
PubChem CID1433
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC NameN'-[[3-(aminomethyl)phenyl]methyl]ethanimidamide
SMILESC/C(N)=N\Cc1cccc(CN)c1
InChIInChI=1S/C10H15N3/c1-8(12)13-7-10-4-2-3-9(5-10)6-11/h2-5H,6-7,11H2,1H3,(H2,12,13)
InChIKeyRODUKNYOEVZQPR-UHFFFAOYSA-N
XLogP1.02
TPSA64.40 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 ≤ 51.02
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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Frequently Asked Questions

What is the IUPAC name of N'-[[3-(aminomethyl)phenyl]methyl]ethanimidamide?
The IUPAC name of N'-[[3-(aminomethyl)phenyl]methyl]ethanimidamide (CID 1433) is N'-[[3-(aminomethyl)phenyl]methyl]ethanimidamide.
What is the SMILES notation for N'-[[3-(aminomethyl)phenyl]methyl]ethanimidamide?
The canonical SMILES for N'-[[3-(aminomethyl)phenyl]methyl]ethanimidamide is C/C(N)=N\Cc1cccc(CN)c1.
What is the InChIKey of N'-[[3-(aminomethyl)phenyl]methyl]ethanimidamide?
The InChIKey is RODUKNYOEVZQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-8(12)13-7-10-4-2-3-9(5-10)6-11/h2-5H,6-7,11H2,1H3,(H2,12,13).
What are the key properties of N'-[[3-(aminomethyl)phenyl]methyl]ethanimidamide?
N'-[[3-(aminomethyl)phenyl]methyl]ethanimidamide has a molecular weight of 177.25 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[3-(aminomethyl)phenyl]methyl]ethanimidamide is sourced from PubChem (CID 1433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).