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

C12H24N2O — CID 114410995

IUPACN-ethyl-3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
SMILESCCNCCCN1CC=C(COC)CC1
InChIInChI=1S/C12H24N2O/c1-3-13-7-4-8-14-9-5-12(6-10-14)11-15-2/h5,13H,3-4,6-11H2,1-2H3
InChIKeyKAXSKHQWMZMUBF-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.26
Rot. Bonds7

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

N-ethyl-3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine (PubChem CID 114410995) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-ethyl-3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
PubChem CID114410995
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-ethyl-3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
SMILESCCNCCCN1CC=C(COC)CC1
InChIInChI=1S/C12H24N2O/c1-3-13-7-4-8-14-9-5-12(6-10-14)11-15-2/h5,13H,3-4,6-11H2,1-2H3
InChIKeyKAXSKHQWMZMUBF-UHFFFAOYSA-N
XLogP1.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.26
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 N-ethyl-3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine?
The IUPAC name of N-ethyl-3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine (CID 114410995) is N-ethyl-3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine.
What is the SMILES notation for N-ethyl-3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine?
The canonical SMILES for N-ethyl-3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine is CCNCCCN1CC=C(COC)CC1.
What is the InChIKey of N-ethyl-3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine?
The InChIKey is KAXSKHQWMZMUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-3-13-7-4-8-14-9-5-12(6-10-14)11-15-2/h5,13H,3-4,6-11H2,1-2H3.
What are the key properties of N-ethyl-3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine?
N-ethyl-3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine has a molecular weight of 212.34 g/mol, XLogP of 1.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine is sourced from PubChem (CID 114410995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).