N-[(E)-1-phenylprop-2-enylideneamino]methanamine

C10H12N2 — CID 144603752

IUPACN-[(E)-1-phenylprop-2-enylideneamino]methanamine
SMILESC=C/C(=N\NC)c1ccccc1
InChIInChI=1S/C10H12N2/c1-3-10(12-11-2)9-7-5-4-6-8-9/h3-8,11H,1H2,2H3/b12-10+
InChIKeyYHMOSLMUWIBKMB-ZRDIBKRKSA-N
MW160.22 g/mol
LogP1.80
Rot. Bonds3

About N-[(E)-1-phenylprop-2-enylideneamino]methanamine

N-[(E)-1-phenylprop-2-enylideneamino]methanamine (PubChem CID 144603752) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is N-[(E)-1-phenylprop-2-enylideneamino]methanamine.

Molecular Properties

Compound NameN-[(E)-1-phenylprop-2-enylideneamino]methanamine
PubChem CID144603752
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC NameN-[(E)-1-phenylprop-2-enylideneamino]methanamine
SMILESC=C/C(=N\NC)c1ccccc1
InChIInChI=1S/C10H12N2/c1-3-10(12-11-2)9-7-5-4-6-8-9/h3-8,11H,1H2,2H3/b12-10+
InChIKeyYHMOSLMUWIBKMB-ZRDIBKRKSA-N
XLogP1.80
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-phenylprop-2-enylideneamino]methanamine?
The IUPAC name of N-[(E)-1-phenylprop-2-enylideneamino]methanamine (CID 144603752) is N-[(E)-1-phenylprop-2-enylideneamino]methanamine.
What is the SMILES notation for N-[(E)-1-phenylprop-2-enylideneamino]methanamine?
The canonical SMILES for N-[(E)-1-phenylprop-2-enylideneamino]methanamine is C=C/C(=N\NC)c1ccccc1.
What is the InChIKey of N-[(E)-1-phenylprop-2-enylideneamino]methanamine?
The InChIKey is YHMOSLMUWIBKMB-ZRDIBKRKSA-N. The full InChI is InChI=1S/C10H12N2/c1-3-10(12-11-2)9-7-5-4-6-8-9/h3-8,11H,1H2,2H3/b12-10+.
What are the key properties of N-[(E)-1-phenylprop-2-enylideneamino]methanamine?
N-[(E)-1-phenylprop-2-enylideneamino]methanamine has a molecular weight of 160.22 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-phenylprop-2-enylideneamino]methanamine is sourced from PubChem (CID 144603752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).