[1-(methoxymethyl)-3,6-dihydro-2H-pyridin-6-yl]methanamine

C8H16N2O — CID 82358806

IUPAC[1-(methoxymethyl)-3,6-dihydro-2H-pyridin-6-yl]methanamine
SMILESCOCN1CCC=CC1CN
InChIInChI=1S/C8H16N2O/c1-11-7-10-5-3-2-4-8(10)6-9/h2,4,8H,3,5-7,9H2,1H3
InChIKeyPNRRTOLETCNZOJ-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.18
Rot. Bonds3

About [1-(methoxymethyl)-3,6-dihydro-2H-pyridin-6-yl]methanamine

[1-(methoxymethyl)-3,6-dihydro-2H-pyridin-6-yl]methanamine (PubChem CID 82358806) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is [1-(methoxymethyl)-3,6-dihydro-2H-pyridin-6-yl]methanamine.

Molecular Properties

Compound Name[1-(methoxymethyl)-3,6-dihydro-2H-pyridin-6-yl]methanamine
PubChem CID82358806
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name[1-(methoxymethyl)-3,6-dihydro-2H-pyridin-6-yl]methanamine
SMILESCOCN1CCC=CC1CN
InChIInChI=1S/C8H16N2O/c1-11-7-10-5-3-2-4-8(10)6-9/h2,4,8H,3,5-7,9H2,1H3
InChIKeyPNRRTOLETCNZOJ-UHFFFAOYSA-N
XLogP0.18
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,6-Dihydropyridin-1(2H)-yl)ethyl]-N-methylamine
CID 23121981
methoxymethanamine;1-methyl-3,6-dihydro-2H-pyridine
CID 91232901
N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]propan-2-amine
CID 114410601
N-propan-2-yl-1,2,3,6-tetrahydropyridin-3-amine
CID 134579084
(Z)-1-N-[(Z)-pent-3-enyl]pent-3-ene-1,2-diamine
CID 138737694
1-methyl-3,6-dihydro-2H-pyridin-3-amine
CID 140927566
(5Z)-3-N,3-N-dimethylocta-1,5-diene-3,4-diamine;ethane
CID 142048344
N-(1,2,3,6-tetrahydropyridin-6-ylmethyl)ethanamine
CID 143501805
Ethane;1-methyl-2,3,6,7-tetrahydroazepin-3-amine
CID 143617011
Ethane;6-methyl-1,2,3,6-tetrahydropyridin-3-amine
CID 144334283
2-(3,6-dihydro-2H-pyridin-1-yl)ethanamine;ethane
CID 144912202
2-(3,6-dihydro-2H-pyridin-1-yl)-N-methylethanamine;ethane
CID 144912225

Frequently Asked Questions

What is the IUPAC name of [1-(methoxymethyl)-3,6-dihydro-2H-pyridin-6-yl]methanamine?
The IUPAC name of [1-(methoxymethyl)-3,6-dihydro-2H-pyridin-6-yl]methanamine (CID 82358806) is [1-(methoxymethyl)-3,6-dihydro-2H-pyridin-6-yl]methanamine.
What is the SMILES notation for [1-(methoxymethyl)-3,6-dihydro-2H-pyridin-6-yl]methanamine?
The canonical SMILES for [1-(methoxymethyl)-3,6-dihydro-2H-pyridin-6-yl]methanamine is COCN1CCC=CC1CN.
What is the InChIKey of [1-(methoxymethyl)-3,6-dihydro-2H-pyridin-6-yl]methanamine?
The InChIKey is PNRRTOLETCNZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-11-7-10-5-3-2-4-8(10)6-9/h2,4,8H,3,5-7,9H2,1H3.
What are the key properties of [1-(methoxymethyl)-3,6-dihydro-2H-pyridin-6-yl]methanamine?
[1-(methoxymethyl)-3,6-dihydro-2H-pyridin-6-yl]methanamine has a molecular weight of 156.23 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(methoxymethyl)-3,6-dihydro-2H-pyridin-6-yl]methanamine is sourced from PubChem (CID 82358806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).