5-methyl-1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridine

C12H21NO — CID 130194944

IUPAC5-methyl-1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridine
SMILESCC1=CCCN(CC2CCOCC2)C1
InChIInChI=1S/C12H21NO/c1-11-3-2-6-13(9-11)10-12-4-7-14-8-5-12/h3,12H,2,4-10H2,1H3
InChIKeyOBTYGLGSANDVPV-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.07
Rot. Bonds2

About 5-methyl-1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridine

5-methyl-1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridine (PubChem CID 130194944) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 5-methyl-1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-methyl-1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridine
PubChem CID130194944
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name5-methyl-1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridine
SMILESCC1=CCCN(CC2CCOCC2)C1
InChIInChI=1S/C12H21NO/c1-11-3-2-6-13(9-11)10-12-4-7-14-8-5-12/h3,12H,2,4-10H2,1H3
InChIKeyOBTYGLGSANDVPV-UHFFFAOYSA-N
XLogP2.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-methyl-1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridine 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-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexyl]methanamine
CID 106314902
3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopentan-1-amine
CID 106315052
3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]morpholine
CID 106314919
[2-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexyl]methanamine
CID 106314928
4-(oxan-4-ylmethyl)morpholine
CID 122244931
4-methyl-1-(oxan-4-ylmethyl)piperidin-3-ol
CID 103898114
2-(4,5-dimethyl-1H-imidazol-2-yl)-4-[1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridin-5-yl]pyridine
CID 129315682
2-methyl-N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine
CID 106316749
4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine
CID 106315085
4-methyl-2-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]pyrimidine
CID 110103697
4-chloro-3-methyl-1-(oxan-4-ylmethyl)piperidine
CID 114682309
4-tert-butyl-1-(oxan-4-ylmethyl)piperidine
CID 59743823

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-methyl-1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridine (CID 130194944) is 5-methyl-1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-methyl-1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-methyl-1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridine is CC1=CCCN(CC2CCOCC2)C1.
What is the InChIKey of 5-methyl-1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is OBTYGLGSANDVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-11-3-2-6-13(9-11)10-12-4-7-14-8-5-12/h3,12H,2,4-10H2,1H3.
What are the key properties of 5-methyl-1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridine?
5-methyl-1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 195.31 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 130194944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).