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

C15H30N2O — CID 114413433

IUPAC4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-methylpropyl)butan-1-amine
SMILESCOCC1=CCN(CCCCNCC(C)C)CC1
InChIInChI=1S/C15H30N2O/c1-14(2)12-16-8-4-5-9-17-10-6-15(7-11-17)13-18-3/h6,14,16H,4-5,7-13H2,1-3H3
InChIKeyZZZLIKPAARYNFH-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.29
Rot. Bonds9

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

4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-methylpropyl)butan-1-amine (PubChem CID 114413433) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-methylpropyl)butan-1-amine
PubChem CID114413433
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-methylpropyl)butan-1-amine
SMILESCOCC1=CCN(CCCCNCC(C)C)CC1
InChIInChI=1S/C15H30N2O/c1-14(2)12-16-8-4-5-9-17-10-6-15(7-11-17)13-18-3/h6,14,16H,4-5,7-13H2,1-3H3
InChIKeyZZZLIKPAARYNFH-UHFFFAOYSA-N
XLogP2.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.29
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
4-(4,4,4-Trifluorobutoxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404639
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
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
N-[2-(3,6-dihydro-2H-pyran-5-yl)ethyl]-3,3-dimethylbutan-1-amine;molecular hydrogen
CID 143543963

Frequently Asked Questions

What is the IUPAC name of 4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-methylpropyl)butan-1-amine (CID 114413433) is 4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-methylpropyl)butan-1-amine is COCC1=CCN(CCCCNCC(C)C)CC1.
What is the InChIKey of 4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-methylpropyl)butan-1-amine?
The InChIKey is ZZZLIKPAARYNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-14(2)12-16-8-4-5-9-17-10-6-15(7-11-17)13-18-3/h6,14,16H,4-5,7-13H2,1-3H3.
What are the key properties of 4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-methylpropyl)butan-1-amine?
4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-methylpropyl)butan-1-amine has a molecular weight of 254.42 g/mol, XLogP of 2.29, 9 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]-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 114413433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).