1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]-N-methylmethanamine

C13H24N2O — CID 114413412

IUPAC1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]-N-methylmethanamine
SMILESCNCC1CCC1N1CC=C(COC)CC1
InChIInChI=1S/C13H24N2O/c1-14-9-12-3-4-13(12)15-7-5-11(6-8-15)10-16-2/h5,12-14H,3-4,6-10H2,1-2H3
InChIKeyBELYAILTCXVSIE-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.26
Rot. Bonds5

About 1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]-N-methylmethanamine

1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]-N-methylmethanamine (PubChem CID 114413412) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]-N-methylmethanamine
PubChem CID114413412
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]-N-methylmethanamine
SMILESCNCC1CCC1N1CC=C(COC)CC1
InChIInChI=1S/C13H24N2O/c1-14-9-12-3-4-13(12)15-7-5-11(6-8-15)10-16-2/h5,12-14H,3-4,6-10H2,1-2H3
InChIKeyBELYAILTCXVSIE-UHFFFAOYSA-N
XLogP1.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(methoxymethyl)-1-[(3-methylpyrrolidin-2-yl)methyl]-3,6-dihydro-2H-pyridine
CID 102776256
4-(methoxymethyl)-1-[[(3S,4S)-4-methylpyrrolidin-3-yl]methyl]-3,6-dihydro-2H-pyridine
CID 105576215
4-(methoxymethyl)-1-[(2-methylpiperidin-4-yl)methyl]-3,6-dihydro-2H-pyridine
CID 106741220
2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-4,4-dimethylpentan-1-amine
CID 107473676
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-4,4-dimethylpentan-3-amine
CID 113581621
4-(methoxymethyl)-1-(2-piperidin-4-ylethyl)-3,6-dihydro-2H-pyridine
CID 113581627
3-ethyl-6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine
CID 113581635
N-[4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pentyl]cyclopropanamine
CID 113582029
2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propylpentan-1-amine
CID 113582030
2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methyl-N-propylbutan-1-amine
CID 113582031
N-ethyl-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine
CID 113582032
N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methylbutyl]cyclopropanamine
CID 113582036

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]-N-methylmethanamine (CID 114413412) is 1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]-N-methylmethanamine is CNCC1CCC1N1CC=C(COC)CC1.
What is the InChIKey of 1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]-N-methylmethanamine?
The InChIKey is BELYAILTCXVSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-14-9-12-3-4-13(12)15-7-5-11(6-8-15)10-16-2/h5,12-14H,3-4,6-10H2,1-2H3.
What are the key properties of 1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]-N-methylmethanamine?
1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]-N-methylmethanamine has a molecular weight of 224.35 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]-N-methylmethanamine is sourced from PubChem (CID 114413412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).