3-(2,6-dimethylphenyl)imino-N-methoxybutan-2-amine

C13H20N2O — CID 57302881

IUPAC3-(2,6-dimethylphenyl)imino-N-methoxybutan-2-amine
SMILESCONC(C)/C(C)=N/c1c(C)cccc1C
InChIInChI=1S/C13H20N2O/c1-9-7-6-8-10(2)13(9)14-11(3)12(4)15-16-5/h6-8,12,15H,1-5H3/b14-11+
InChIKeyMZGIUASAVITHJC-SDNWHVSQSA-N
MW220.32 g/mol
LogP2.94
Rot. Bonds4

About 3-(2,6-dimethylphenyl)imino-N-methoxybutan-2-amine

3-(2,6-dimethylphenyl)imino-N-methoxybutan-2-amine (PubChem CID 57302881) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)imino-N-methoxybutan-2-amine.

Molecular Properties

Compound Name3-(2,6-dimethylphenyl)imino-N-methoxybutan-2-amine
PubChem CID57302881
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-(2,6-dimethylphenyl)imino-N-methoxybutan-2-amine
SMILESCONC(C)/C(C)=N/c1c(C)cccc1C
InChIInChI=1S/C13H20N2O/c1-9-7-6-8-10(2)13(9)14-11(3)12(4)15-16-5/h6-8,12,15H,1-5H3/b14-11+
InChIKeyMZGIUASAVITHJC-SDNWHVSQSA-N
XLogP2.94
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-(2,6-dimethylphenyl)imino-N-methoxybutan-2-amine?
The IUPAC name of 3-(2,6-dimethylphenyl)imino-N-methoxybutan-2-amine (CID 57302881) is 3-(2,6-dimethylphenyl)imino-N-methoxybutan-2-amine.
What is the SMILES notation for 3-(2,6-dimethylphenyl)imino-N-methoxybutan-2-amine?
The canonical SMILES for 3-(2,6-dimethylphenyl)imino-N-methoxybutan-2-amine is CONC(C)/C(C)=N/c1c(C)cccc1C.
What is the InChIKey of 3-(2,6-dimethylphenyl)imino-N-methoxybutan-2-amine?
The InChIKey is MZGIUASAVITHJC-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9-7-6-8-10(2)13(9)14-11(3)12(4)15-16-5/h6-8,12,15H,1-5H3/b14-11+.
What are the key properties of 3-(2,6-dimethylphenyl)imino-N-methoxybutan-2-amine?
3-(2,6-dimethylphenyl)imino-N-methoxybutan-2-amine has a molecular weight of 220.32 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenyl)imino-N-methoxybutan-2-amine is sourced from PubChem (CID 57302881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).