1-pyridin-4-ylethyl N-methylmethanimidate

C9H12N2O — CID 143270127

IUPAC1-pyridin-4-ylethyl N-methylmethanimidate
SMILESC/N=C/OC(C)c1ccncc1
InChIInChI=1S/C9H12N2O/c1-8(12-7-10-2)9-3-5-11-6-4-9/h3-8H,1-2H3/b10-7+
InChIKeyMJIIPQVEQKIJNT-JXMROGBWSA-N
MW164.21 g/mol
LogP1.82
Rot. Bonds3

About 1-pyridin-4-ylethyl N-methylmethanimidate

1-pyridin-4-ylethyl N-methylmethanimidate (PubChem CID 143270127) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 1-pyridin-4-ylethyl N-methylmethanimidate.

Molecular Properties

Compound Name1-pyridin-4-ylethyl N-methylmethanimidate
PubChem CID143270127
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name1-pyridin-4-ylethyl N-methylmethanimidate
SMILESC/N=C/OC(C)c1ccncc1
InChIInChI=1S/C9H12N2O/c1-8(12-7-10-2)9-3-5-11-6-4-9/h3-8H,1-2H3/b10-7+
InChIKeyMJIIPQVEQKIJNT-JXMROGBWSA-N
XLogP1.82
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromo-4-pyridinyl)ethyl N-methylmethanimidate
CID 143270159
O-(1-pyridin-4-ylethyl)hydroxylamine
CID 102548796
[(1S)-1-pyridin-4-ylethyl] methanesulfonate
CID 163739842
(1R)-1-pyridin-4-ylethanethiol
CID 92977193
trimethoxy(1-pyridin-4-ylethyl)silane
CID 66657112
5-(1-pyridin-4-ylethoxy)naphthalen-1-amine
CID 82037865
4-methyl-2-(1-pyridin-4-ylethoxy)pyridine
CID 126954932
tris(4-propan-2-ylpyridine);trichlorochromium
CID 19688799
4-(6-methylhept-1-en-3-yl)pyridine
CID 166775888
2-bromo-3-methylimino-1-pyridin-4-ylprop-1-en-1-amine
CID 144666599
[(1S)-1-pyridin-4-ylethyl] 8-bromonaphthalene-1-carboxylate
CID 11739763
[amino(pyridin-4-yl)methyl] formate
CID 174789488

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-ylethyl N-methylmethanimidate?
The IUPAC name of 1-pyridin-4-ylethyl N-methylmethanimidate (CID 143270127) is 1-pyridin-4-ylethyl N-methylmethanimidate.
What is the SMILES notation for 1-pyridin-4-ylethyl N-methylmethanimidate?
The canonical SMILES for 1-pyridin-4-ylethyl N-methylmethanimidate is C/N=C/OC(C)c1ccncc1.
What is the InChIKey of 1-pyridin-4-ylethyl N-methylmethanimidate?
The InChIKey is MJIIPQVEQKIJNT-JXMROGBWSA-N. The full InChI is InChI=1S/C9H12N2O/c1-8(12-7-10-2)9-3-5-11-6-4-9/h3-8H,1-2H3/b10-7+.
What are the key properties of 1-pyridin-4-ylethyl N-methylmethanimidate?
1-pyridin-4-ylethyl N-methylmethanimidate has a molecular weight of 164.21 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-4-ylethyl N-methylmethanimidate is sourced from PubChem (CID 143270127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).