3-[2-(aminomethyl)phenyl]iminoprop-1-en-1-amine

C10H13N3 — CID 147755284

IUPAC3-[2-(aminomethyl)phenyl]iminoprop-1-en-1-amine
SMILESNC=C/C=N/c1ccccc1CN
InChIInChI=1S/C10H13N3/c11-6-3-7-13-10-5-2-1-4-9(10)8-12/h1-7H,8,11-12H2/b6-3?,13-7+
InChIKeyXWHQRKOORCTHFK-KGOQTVLHSA-N
MW175.23 g/mol
LogP1.32
Rot. Bonds3

About 3-[2-(aminomethyl)phenyl]iminoprop-1-en-1-amine

3-[2-(aminomethyl)phenyl]iminoprop-1-en-1-amine (PubChem CID 147755284) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 3-[2-(aminomethyl)phenyl]iminoprop-1-en-1-amine.

Molecular Properties

Compound Name3-[2-(aminomethyl)phenyl]iminoprop-1-en-1-amine
PubChem CID147755284
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name3-[2-(aminomethyl)phenyl]iminoprop-1-en-1-amine
SMILESNC=C/C=N/c1ccccc1CN
InChIInChI=1S/C10H13N3/c11-6-3-7-13-10-5-2-1-4-9(10)8-12/h1-7H,8,11-12H2/b6-3?,13-7+
InChIKeyXWHQRKOORCTHFK-KGOQTVLHSA-N
XLogP1.32
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)phenyl]iminoprop-1-en-1-amine?
The IUPAC name of 3-[2-(aminomethyl)phenyl]iminoprop-1-en-1-amine (CID 147755284) is 3-[2-(aminomethyl)phenyl]iminoprop-1-en-1-amine.
What is the SMILES notation for 3-[2-(aminomethyl)phenyl]iminoprop-1-en-1-amine?
The canonical SMILES for 3-[2-(aminomethyl)phenyl]iminoprop-1-en-1-amine is NC=C/C=N/c1ccccc1CN.
What is the InChIKey of 3-[2-(aminomethyl)phenyl]iminoprop-1-en-1-amine?
The InChIKey is XWHQRKOORCTHFK-KGOQTVLHSA-N. The full InChI is InChI=1S/C10H13N3/c11-6-3-7-13-10-5-2-1-4-9(10)8-12/h1-7H,8,11-12H2/b6-3?,13-7+.
What are the key properties of 3-[2-(aminomethyl)phenyl]iminoprop-1-en-1-amine?
3-[2-(aminomethyl)phenyl]iminoprop-1-en-1-amine has a molecular weight of 175.23 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)phenyl]iminoprop-1-en-1-amine is sourced from PubChem (CID 147755284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).