N-methyl-1-[4-(methyliminomethyl)phenyl]methanimine

C10H12N2 — CID 12957383

IUPACN-methyl-1-[4-(methyliminomethyl)phenyl]methanimine
SMILESC/N=C/c1ccc(/C=N/C)cc1
InChIInChI=1S/C10H12N2/c1-11-7-9-3-5-10(6-4-9)8-12-2/h3-8H,1-2H3/b11-7+,12-8+
InChIKeyKNPAMYYEILMDFL-MKICQXMISA-N
MW160.22 g/mol
LogP1.78
Rot. Bonds2

About N-methyl-1-[4-(methyliminomethyl)phenyl]methanimine

N-methyl-1-[4-(methyliminomethyl)phenyl]methanimine (PubChem CID 12957383) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is N-methyl-1-[4-(methyliminomethyl)phenyl]methanimine.

Molecular Properties

Compound NameN-methyl-1-[4-(methyliminomethyl)phenyl]methanimine
PubChem CID12957383
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC NameN-methyl-1-[4-(methyliminomethyl)phenyl]methanimine
SMILESC/N=C/c1ccc(/C=N/C)cc1
InChIInChI=1S/C10H12N2/c1-11-7-9-3-5-10(6-4-9)8-12-2/h3-8H,1-2H3/b11-7+,12-8+
InChIKeyKNPAMYYEILMDFL-MKICQXMISA-N
XLogP1.78
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 N-methyl-1-[4-(methyliminomethyl)phenyl]methanimine?
The IUPAC name of N-methyl-1-[4-(methyliminomethyl)phenyl]methanimine (CID 12957383) is N-methyl-1-[4-(methyliminomethyl)phenyl]methanimine.
What is the SMILES notation for N-methyl-1-[4-(methyliminomethyl)phenyl]methanimine?
The canonical SMILES for N-methyl-1-[4-(methyliminomethyl)phenyl]methanimine is C/N=C/c1ccc(/C=N/C)cc1.
What is the InChIKey of N-methyl-1-[4-(methyliminomethyl)phenyl]methanimine?
The InChIKey is KNPAMYYEILMDFL-MKICQXMISA-N. The full InChI is InChI=1S/C10H12N2/c1-11-7-9-3-5-10(6-4-9)8-12-2/h3-8H,1-2H3/b11-7+,12-8+.
What are the key properties of N-methyl-1-[4-(methyliminomethyl)phenyl]methanimine?
N-methyl-1-[4-(methyliminomethyl)phenyl]methanimine has a molecular weight of 160.22 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(methyliminomethyl)phenyl]methanimine is sourced from PubChem (CID 12957383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).