4-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine

C11H22N2O — CID 106315096

IUPAC4-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine
SMILESCOCCC(N)CN1CCC=C(C)C1
InChIInChI=1S/C11H22N2O/c1-10-4-3-6-13(8-10)9-11(12)5-7-14-2/h4,11H,3,5-9,12H2,1-2H3
InChIKeyYAYPPLXZSTZLBJ-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.00
Rot. Bonds5

About 4-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine

4-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine (PubChem CID 106315096) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 4-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine.

Molecular Properties

Compound Name4-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine
PubChem CID106315096
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name4-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine
SMILESCOCCC(N)CN1CCC=C(C)C1
InChIInChI=1S/C11H22N2O/c1-10-4-3-6-13(8-10)9-11(12)5-7-14-2/h4,11H,3,5-9,12H2,1-2H3
InChIKeyYAYPPLXZSTZLBJ-UHFFFAOYSA-N
XLogP1.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 103227357
1-methoxy-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine
CID 114490205
4-methoxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-amine
CID 114490224
1-(Cyclohexa-1,5-dien-1-ylmethyl)-3-(2-methoxyethyl)piperazine
CID 142920845
1-[(Z,2E)-2-ethylidenehex-3-enyl]-3-(2-methoxyethyl)piperazine
CID 142920889
1-N-ethyl-4-methoxy-1-N-(2-methylprop-2-enyl)butane-1,2-diamine
CID 62477320
N-[3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propyl]cyclopropanamine
CID 103227328
N-[3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-2-methylpropan-1-amine
CID 103227329
3-methoxy-N-methyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine
CID 103227330
N-ethyl-3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine
CID 103227331
3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylpropan-1-amine
CID 103227332
3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propylpropan-1-amine
CID 103227333

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine?
The IUPAC name of 4-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine (CID 106315096) is 4-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine.
What is the SMILES notation for 4-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine?
The canonical SMILES for 4-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine is COCCC(N)CN1CCC=C(C)C1.
What is the InChIKey of 4-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine?
The InChIKey is YAYPPLXZSTZLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-10-4-3-6-13(8-10)9-11(12)5-7-14-2/h4,11H,3,5-9,12H2,1-2H3.
What are the key properties of 4-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine?
4-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine has a molecular weight of 198.31 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine is sourced from PubChem (CID 106315096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).