5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-methylpropyl)pentan-1-amine

C16H32N2O — CID 114413393

IUPAC5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-methylpropyl)pentan-1-amine
SMILESCOCC1=CCN(CCCCCNCC(C)C)CC1
InChIInChI=1S/C16H32N2O/c1-15(2)13-17-9-5-4-6-10-18-11-7-16(8-12-18)14-19-3/h7,15,17H,4-6,8-14H2,1-3H3
InChIKeyJGBOAVWGPPAVAG-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.68
Rot. Bonds10

About 5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-methylpropyl)pentan-1-amine

5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-methylpropyl)pentan-1-amine (PubChem CID 114413393) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-methylpropyl)pentan-1-amine.

Molecular Properties

Compound Name5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-methylpropyl)pentan-1-amine
PubChem CID114413393
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-methylpropyl)pentan-1-amine
SMILESCOCC1=CCN(CCCCCNCC(C)C)CC1
InChIInChI=1S/C16H32N2O/c1-15(2)13-17-9-5-4-6-10-18-11-7-16(8-12-18)14-19-3/h7,15,17H,4-6,8-14H2,1-3H3
InChIKeyJGBOAVWGPPAVAG-UHFFFAOYSA-N
XLogP2.68
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.68
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

(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methoxymethanamine
CID 20756947
4-(Ethoxymethyl)-1,2,3,6-tetrahydropyridin-1-ium
CID 163465648
Methoxy(1,2,3,6-tetrahydropyridin-4-yl)methanamine
CID 163951235
1,3-dimethyl-2,5-dihydropyrrole;1-ethyl-4-methyl-3,6-dihydro-2H-pyridine;4-methyl-3,6-dihydro-2H-pyran;3-methyl-2,5-dihydro-1H-pyrrole
CID 164996552
4-(Ethoxymethyl)-1,2,3,6-tetrahydropyridine
CID 84716253
4-(Pentan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine
CID 102982177
4-(2-Methylpentoxymethyl)-1,2,3,6-tetrahydropyridine
CID 103283983
2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-4,4-dimethylpentan-1-amine
CID 107473676
4-(methoxymethyl)-1-(2-piperidin-4-ylethyl)-3,6-dihydro-2H-pyridine
CID 113581627
7-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]heptan-1-amine
CID 113581631
3-ethyl-6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine
CID 113581635
4-(methoxymethyl)-1-(3-piperidin-4-ylpropyl)-3,6-dihydro-2H-pyridine
CID 113581643

Frequently Asked Questions

What is the IUPAC name of 5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-methylpropyl)pentan-1-amine?
The IUPAC name of 5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-methylpropyl)pentan-1-amine (CID 114413393) is 5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-methylpropyl)pentan-1-amine.
What is the SMILES notation for 5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-methylpropyl)pentan-1-amine?
The canonical SMILES for 5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-methylpropyl)pentan-1-amine is COCC1=CCN(CCCCCNCC(C)C)CC1.
What is the InChIKey of 5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-methylpropyl)pentan-1-amine?
The InChIKey is JGBOAVWGPPAVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-15(2)13-17-9-5-4-6-10-18-11-7-16(8-12-18)14-19-3/h7,15,17H,4-6,8-14H2,1-3H3.
What are the key properties of 5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-methylpropyl)pentan-1-amine?
5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-methylpropyl)pentan-1-amine has a molecular weight of 268.44 g/mol, XLogP of 2.68, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-methylpropyl)pentan-1-amine is sourced from PubChem (CID 114413393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).