N-benzyl-2-iminoethanamine;molecular hydrogen

C9H14N2 — CID 156849482

IUPACN-benzyl-2-iminoethanamine;molecular hydrogen
SMILES[H]/N=C/CNCc1ccccc1.[H][H]
InChIInChI=1S/C9H12N2.H2/c10-6-7-11-8-9-4-2-1-3-5-9;/h1-6,10-11H,7-8H2;1H/b10-6+;
InChIKeyCIQOHUPXUNKSKI-AAGWESIMSA-N
MW150.23 g/mol
LogP1.67
Rot. Bonds4

About N-benzyl-2-iminoethanamine;molecular hydrogen

N-benzyl-2-iminoethanamine;molecular hydrogen (PubChem CID 156849482) has the molecular formula C9H14N2 and a molecular weight of 150.23 g/mol. Its IUPAC name is N-benzyl-2-iminoethanamine;molecular hydrogen.

Molecular Properties

Compound NameN-benzyl-2-iminoethanamine;molecular hydrogen
PubChem CID156849482
Molecular FormulaC9H14N2
Molecular Weight150.23 g/mol
Exact Mass150.12
IUPAC NameN-benzyl-2-iminoethanamine;molecular hydrogen
SMILES[H]/N=C/CNCc1ccccc1.[H][H]
InChIInChI=1S/C9H12N2.H2/c10-6-7-11-8-9-4-2-1-3-5-9;/h1-6,10-11H,7-8H2;1H/b10-6+;
InChIKeyCIQOHUPXUNKSKI-AAGWESIMSA-N
XLogP1.67
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.23
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-iminoethanamine;molecular hydrogen?
The IUPAC name of N-benzyl-2-iminoethanamine;molecular hydrogen (CID 156849482) is N-benzyl-2-iminoethanamine;molecular hydrogen.
What is the SMILES notation for N-benzyl-2-iminoethanamine;molecular hydrogen?
The canonical SMILES for N-benzyl-2-iminoethanamine;molecular hydrogen is [H]/N=C/CNCc1ccccc1.[H][H].
What is the InChIKey of N-benzyl-2-iminoethanamine;molecular hydrogen?
The InChIKey is CIQOHUPXUNKSKI-AAGWESIMSA-N. The full InChI is InChI=1S/C9H12N2.H2/c10-6-7-11-8-9-4-2-1-3-5-9;/h1-6,10-11H,7-8H2;1H/b10-6+;.
What are the key properties of N-benzyl-2-iminoethanamine;molecular hydrogen?
N-benzyl-2-iminoethanamine;molecular hydrogen has a molecular weight of 150.23 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-iminoethanamine;molecular hydrogen is sourced from PubChem (CID 156849482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).