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

C12H24N2O — CID 114410906

IUPAC1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylbutan-2-amine
SMILESCCC(C)(N)CN1CC=C(COC)CC1
InChIInChI=1S/C12H24N2O/c1-4-12(2,13)10-14-7-5-11(6-8-14)9-15-3/h5H,4,6-10,13H2,1-3H3
InChIKeyCPKRITVHBZLFDI-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.39
Rot. Bonds5

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

1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylbutan-2-amine (PubChem CID 114410906) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylbutan-2-amine.

Molecular Properties

Compound Name1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylbutan-2-amine
PubChem CID114410906
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylbutan-2-amine
SMILESCCC(C)(N)CN1CC=C(COC)CC1
InChIInChI=1S/C12H24N2O/c1-4-12(2,13)10-14-7-5-11(6-8-14)9-15-3/h5H,4,6-10,13H2,1-3H3
InChIKeyCPKRITVHBZLFDI-UHFFFAOYSA-N
XLogP1.39
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylbutan-2-amine?
The IUPAC name of 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylbutan-2-amine (CID 114410906) is 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylbutan-2-amine.
What is the SMILES notation for 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylbutan-2-amine?
The canonical SMILES for 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylbutan-2-amine is CCC(C)(N)CN1CC=C(COC)CC1.
What is the InChIKey of 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylbutan-2-amine?
The InChIKey is CPKRITVHBZLFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-12(2,13)10-14-7-5-11(6-8-14)9-15-3/h5H,4,6-10,13H2,1-3H3.
What are the key properties of 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylbutan-2-amine?
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylbutan-2-amine has a molecular weight of 212.34 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylbutan-2-amine is sourced from PubChem (CID 114410906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).