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

C11H19NO — CID 3306153

IUPAC5-methyl-1-(oxan-4-yl)-3,6-dihydro-2H-pyridine
SMILESCC1=CCCN(C2CCOCC2)C1
InChIInChI=1S/C11H19NO/c1-10-3-2-6-12(9-10)11-4-7-13-8-5-11/h3,11H,2,4-9H2,1H3
InChIKeyMJUFEWVAXVHWSX-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.82
Rot. Bonds1

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

5-methyl-1-(oxan-4-yl)-3,6-dihydro-2H-pyridine (PubChem CID 3306153) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 5-methyl-1-(oxan-4-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-methyl-1-(oxan-4-yl)-3,6-dihydro-2H-pyridine
PubChem CID3306153
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name5-methyl-1-(oxan-4-yl)-3,6-dihydro-2H-pyridine
SMILESCC1=CCCN(C2CCOCC2)C1
InChIInChI=1S/C11H19NO/c1-10-3-2-6-12(9-10)11-4-7-13-8-5-11/h3,11H,2,4-9H2,1H3
InChIKeyMJUFEWVAXVHWSX-UHFFFAOYSA-N
XLogP1.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-(1-fluorocyclohexa-2,4-dien-1-yl)oxan-4-amine
CID 173650677
N-(2-methylprop-2-enyl)-N-propan-2-yloxan-4-amine
CID 21034321
1-(oxan-4-ylmethyl)-5-propan-2-yl-3,6-dihydro-2H-pyridine
CID 130186830
5-methyl-1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridine
CID 130194944
5-ethyl-1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridine
CID 130219501
N-(2-methylpropyl)-N-[(Z)-pent-2-enyl]oxan-4-amine
CID 130331342
N-ethyl-N-[(3E)-2-methylpenta-1,3-dien-3-yl]oxan-4-amine
CID 130346796
N-but-3-en-2-yl-N-ethyloxan-4-amine
CID 135183299
N-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)oxan-4-amine
CID 139317767
ethane;N-ethyl-N-[(3E)-2,5,6-trimethylhepta-1,3,5-trien-4-yl]oxan-4-amine
CID 142389470
N-ethyl-N-[(3E)-4-methylhexa-1,3-dien-3-yl]oxan-4-amine
CID 144610774
N-ethyl-N-(3-methylbut-3-en-2-yl)oxan-4-amine
CID 163516266

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(oxan-4-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-methyl-1-(oxan-4-yl)-3,6-dihydro-2H-pyridine (CID 3306153) is 5-methyl-1-(oxan-4-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-methyl-1-(oxan-4-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-methyl-1-(oxan-4-yl)-3,6-dihydro-2H-pyridine is CC1=CCCN(C2CCOCC2)C1.
What is the InChIKey of 5-methyl-1-(oxan-4-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is MJUFEWVAXVHWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-10-3-2-6-12(9-10)11-4-7-13-8-5-11/h3,11H,2,4-9H2,1H3.
What are the key properties of 5-methyl-1-(oxan-4-yl)-3,6-dihydro-2H-pyridine?
5-methyl-1-(oxan-4-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 181.28 g/mol, XLogP of 1.82, 1 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-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 3306153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).