N-methyl-N-[(E)-3-phenylpropylideneamino]methanamine

C11H16N2 — CID 10419716

IUPACN-methyl-N-[(E)-3-phenylpropylideneamino]methanamine
SMILESCN(C)/N=C/CCc1ccccc1
InChIInChI=1S/C11H16N2/c1-13(2)12-10-6-9-11-7-4-3-5-8-11/h3-5,7-8,10H,6,9H2,1-2H3/b12-10+
InChIKeyGDDUTUNPOYLHEQ-ZRDIBKRKSA-N
MW176.26 g/mol
LogP2.17
Rot. Bonds4

About N-methyl-N-[(E)-3-phenylpropylideneamino]methanamine

N-methyl-N-[(E)-3-phenylpropylideneamino]methanamine (PubChem CID 10419716) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is N-methyl-N-[(E)-3-phenylpropylideneamino]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(E)-3-phenylpropylideneamino]methanamine
PubChem CID10419716
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC NameN-methyl-N-[(E)-3-phenylpropylideneamino]methanamine
SMILESCN(C)/N=C/CCc1ccccc1
InChIInChI=1S/C11H16N2/c1-13(2)12-10-6-9-11-7-4-3-5-8-11/h3-5,7-8,10H,6,9H2,1-2H3/b12-10+
InChIKeyGDDUTUNPOYLHEQ-ZRDIBKRKSA-N
XLogP2.17
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.17
H-Bond Donors ≤ 50
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'}

Analyze N-methyl-N-[(E)-3-phenylpropylideneamino]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(E)-3-phenylpropylideneamino]methanamine?
The IUPAC name of N-methyl-N-[(E)-3-phenylpropylideneamino]methanamine (CID 10419716) is N-methyl-N-[(E)-3-phenylpropylideneamino]methanamine.
What is the SMILES notation for N-methyl-N-[(E)-3-phenylpropylideneamino]methanamine?
The canonical SMILES for N-methyl-N-[(E)-3-phenylpropylideneamino]methanamine is CN(C)/N=C/CCc1ccccc1.
What is the InChIKey of N-methyl-N-[(E)-3-phenylpropylideneamino]methanamine?
The InChIKey is GDDUTUNPOYLHEQ-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H16N2/c1-13(2)12-10-6-9-11-7-4-3-5-8-11/h3-5,7-8,10H,6,9H2,1-2H3/b12-10+.
What are the key properties of N-methyl-N-[(E)-3-phenylpropylideneamino]methanamine?
N-methyl-N-[(E)-3-phenylpropylideneamino]methanamine has a molecular weight of 176.26 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(E)-3-phenylpropylideneamino]methanamine is sourced from PubChem (CID 10419716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).