(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)methoxymethanimidoyl chloride

C8H13ClN2O — CID 54523476

IUPAC(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)methoxymethanimidoyl chloride
SMILES[H]/N=C(\Cl)OCC1=CCCNC1C
InChIInChI=1S/C8H13ClN2O/c1-6-7(3-2-4-11-6)5-12-8(9)10/h3,6,10-11H,2,4-5H2,1H3/b10-8+
InChIKeyYRMFJKNUPYHKHG-CSKARUKUSA-N
MW188.66 g/mol
LogP1.48
Rot. Bonds2

About (6-methyl-1,2,3,6-tetrahydropyridin-5-yl)methoxymethanimidoyl chloride

(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)methoxymethanimidoyl chloride (PubChem CID 54523476) has the molecular formula C8H13ClN2O and a molecular weight of 188.66 g/mol. Its IUPAC name is (6-methyl-1,2,3,6-tetrahydropyridin-5-yl)methoxymethanimidoyl chloride.

Molecular Properties

Compound Name(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)methoxymethanimidoyl chloride
PubChem CID54523476
Molecular FormulaC8H13ClN2O
Molecular Weight188.66 g/mol
Exact Mass188.07
IUPAC Name(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)methoxymethanimidoyl chloride
SMILES[H]/N=C(\Cl)OCC1=CCCNC1C
InChIInChI=1S/C8H13ClN2O/c1-6-7(3-2-4-11-6)5-12-8(9)10/h3,6,10-11H,2,4-5H2,1H3/b10-8+
InChIKeyYRMFJKNUPYHKHG-CSKARUKUSA-N
XLogP1.48
TPSA45.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.66
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(6-Methyl-1,2,3,6-tetrahydropyridin-5-yl)methoxymethanimidoyl fluoride
CID 54084079
1,2,3,6-Tetrahydropyridin-5-ylmethoxymethanimidoyl chloride
CID 18960954
N-[(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)methoxy]methanimidoyl chloride
CID 88441796
5-(Methoxymethyl)-1,2,3,6-tetrahydropyridine
CID 84716074
5-(Ethoxymethyl)-1,2,3,6-tetrahydropyridine
CID 84716252
3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propan-2-ylpropan-1-amine
CID 114410910
N-ethyl-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-amine
CID 114410969
4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propan-2-ylbutan-1-amine
CID 114411014
3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propan-2-ylbutan-1-amine
CID 114413391
N-ethyl-3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine
CID 114413512
3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propylbutan-1-amine
CID 114413545
3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methylbutan-1-amine
CID 114413546

Frequently Asked Questions

What is the IUPAC name of (6-methyl-1,2,3,6-tetrahydropyridin-5-yl)methoxymethanimidoyl chloride?
The IUPAC name of (6-methyl-1,2,3,6-tetrahydropyridin-5-yl)methoxymethanimidoyl chloride (CID 54523476) is (6-methyl-1,2,3,6-tetrahydropyridin-5-yl)methoxymethanimidoyl chloride.
What is the SMILES notation for (6-methyl-1,2,3,6-tetrahydropyridin-5-yl)methoxymethanimidoyl chloride?
The canonical SMILES for (6-methyl-1,2,3,6-tetrahydropyridin-5-yl)methoxymethanimidoyl chloride is [H]/N=C(\Cl)OCC1=CCCNC1C.
What is the InChIKey of (6-methyl-1,2,3,6-tetrahydropyridin-5-yl)methoxymethanimidoyl chloride?
The InChIKey is YRMFJKNUPYHKHG-CSKARUKUSA-N. The full InChI is InChI=1S/C8H13ClN2O/c1-6-7(3-2-4-11-6)5-12-8(9)10/h3,6,10-11H,2,4-5H2,1H3/b10-8+.
What are the key properties of (6-methyl-1,2,3,6-tetrahydropyridin-5-yl)methoxymethanimidoyl chloride?
(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)methoxymethanimidoyl chloride has a molecular weight of 188.66 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-1,2,3,6-tetrahydropyridin-5-yl)methoxymethanimidoyl chloride is sourced from PubChem (CID 54523476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).