N-methoxy-1,2,3,6-tetrahydropyridin-4-amine

C6H12N2O — CID 56634614

IUPACN-methoxy-1,2,3,6-tetrahydropyridin-4-amine
SMILESCONC1=CCNCC1
InChIInChI=1S/C6H12N2O/c1-9-8-6-2-4-7-5-3-6/h2,7-8H,3-5H2,1H3
InChIKeyOKXFVDICYUTGJC-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.01
Rot. Bonds2

About N-methoxy-1,2,3,6-tetrahydropyridin-4-amine

N-methoxy-1,2,3,6-tetrahydropyridin-4-amine (PubChem CID 56634614) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is N-methoxy-1,2,3,6-tetrahydropyridin-4-amine.

Molecular Properties

Compound NameN-methoxy-1,2,3,6-tetrahydropyridin-4-amine
PubChem CID56634614
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC NameN-methoxy-1,2,3,6-tetrahydropyridin-4-amine
SMILESCONC1=CCNCC1
InChIInChI=1S/C6H12N2O/c1-9-8-6-2-4-7-5-3-6/h2,7-8H,3-5H2,1H3
InChIKeyOKXFVDICYUTGJC-UHFFFAOYSA-N
XLogP0.01
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-1,2,3,6-tetrahydropyridin-4-amine?
The IUPAC name of N-methoxy-1,2,3,6-tetrahydropyridin-4-amine (CID 56634614) is N-methoxy-1,2,3,6-tetrahydropyridin-4-amine.
What is the SMILES notation for N-methoxy-1,2,3,6-tetrahydropyridin-4-amine?
The canonical SMILES for N-methoxy-1,2,3,6-tetrahydropyridin-4-amine is CONC1=CCNCC1.
What is the InChIKey of N-methoxy-1,2,3,6-tetrahydropyridin-4-amine?
The InChIKey is OKXFVDICYUTGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-9-8-6-2-4-7-5-3-6/h2,7-8H,3-5H2,1H3.
What are the key properties of N-methoxy-1,2,3,6-tetrahydropyridin-4-amine?
N-methoxy-1,2,3,6-tetrahydropyridin-4-amine has a molecular weight of 128.17 g/mol, XLogP of 0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1,2,3,6-tetrahydropyridin-4-amine is sourced from PubChem (CID 56634614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).