4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine

C11H22N2O — CID 114410938

IUPAC4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine
SMILESCOCC1=CCN(CCCCN)CC1
InChIInChI=1S/C11H22N2O/c1-14-10-11-4-8-13(9-5-11)7-3-2-6-12/h4H,2-3,5-10,12H2,1H3
InChIKeyOOGOESZSZPWEGI-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.00
Rot. Bonds6

About 4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine

4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine (PubChem CID 114410938) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine.

Molecular Properties

Compound Name4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine
PubChem CID114410938
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine
SMILESCOCC1=CCN(CCCCN)CC1
InChIInChI=1S/C11H22N2O/c1-14-10-11-4-8-13(9-5-11)7-3-2-6-12/h4H,2-3,5-10,12H2,1H3
InChIKeyOOGOESZSZPWEGI-UHFFFAOYSA-N
XLogP1.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Methoxymethyl-1-methyl-1,2,3,6-tetrahydropyridine
CID 14442212
4-(ethoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine
CID 14442213
1-methyl-4-(propoxymethyl)-3,6-dihydro-2H-pyridine
CID 14442218
4-(Methoxymethyl)-1,2,3,6-tetrahydropyridine hydrochloride
CID 75481406
4-(Methoxymethyl)-1,2,3,6-tetrahydropyridine
CID 14442217
2,2,2-trifluoro-N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]ethanamine
CID 114411090
1-Ethyl-4-methoxymethyl-1,2,3,6-tetrahydropyridine
CID 14442214
1-methyl-4-(prop-2-enoxymethyl)-3,6-dihydro-2H-pyridine
CID 14442219
1-methyl-4-(propan-2-yloxymethyl)-3,6-dihydro-2H-pyridine
CID 14442220
4-(methoxymethyl)-1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium bromide
CID 14442229
4-(methoxymethyl)-1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium
CID 14442230
(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methoxymethanamine
CID 20756947

Frequently Asked Questions

What is the IUPAC name of 4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine?
The IUPAC name of 4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine (CID 114410938) is 4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine.
What is the SMILES notation for 4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine?
The canonical SMILES for 4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine is COCC1=CCN(CCCCN)CC1.
What is the InChIKey of 4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine?
The InChIKey is OOGOESZSZPWEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-14-10-11-4-8-13(9-5-11)7-3-2-6-12/h4H,2-3,5-10,12H2,1H3.
What are the key properties of 4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine?
4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine has a molecular weight of 198.31 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine is sourced from PubChem (CID 114410938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).