3-[2-(3,6-dihydro-2H-pyran-4-yl)propyl]-1-propan-2-ylpyrrolidine

C15H27NO — CID 138722365

IUPAC3-[2-(3,6-dihydro-2H-pyran-4-yl)propyl]-1-propan-2-ylpyrrolidine
SMILESCC(CC1CCN(C(C)C)C1)C1=CCOCC1
InChIInChI=1S/C15H27NO/c1-12(2)16-7-4-14(11-16)10-13(3)15-5-8-17-9-6-15/h5,12-14H,4,6-11H2,1-3H3
InChIKeyZLYCYRKZFRDPOR-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.09
Rot. Bonds4

About 3-[2-(3,6-dihydro-2H-pyran-4-yl)propyl]-1-propan-2-ylpyrrolidine

3-[2-(3,6-dihydro-2H-pyran-4-yl)propyl]-1-propan-2-ylpyrrolidine (PubChem CID 138722365) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 3-[2-(3,6-dihydro-2H-pyran-4-yl)propyl]-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name3-[2-(3,6-dihydro-2H-pyran-4-yl)propyl]-1-propan-2-ylpyrrolidine
PubChem CID138722365
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name3-[2-(3,6-dihydro-2H-pyran-4-yl)propyl]-1-propan-2-ylpyrrolidine
SMILESCC(CC1CCN(C(C)C)C1)C1=CCOCC1
InChIInChI=1S/C15H27NO/c1-12(2)16-7-4-14(11-16)10-13(3)15-5-8-17-9-6-15/h5,12-14H,4,6-11H2,1-3H3
InChIKeyZLYCYRKZFRDPOR-UHFFFAOYSA-N
XLogP3.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.09
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

methane;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;4-propan-2-yloxane
CID 158315052
3-[1-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]oxetan-3-amine
CID 138459698
(1-propan-2-ylpyrrolidin-3-yl)methanol
CID 16641305
2-(1-propan-2-ylpyrrolidin-3-yl)acetaldehyde
CID 84763666
4-[1-[4-[1-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]morpholin-2-yl]propan-2-yl]-1,4-oxazepane
CID 170009594
ethane;3-(fluoromethyl)-1-propan-2-ylpyrrolidine
CID 145315824
3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]cyclopent-2-en-1-one
CID 104788342
3-[2-[3-[2-(azetidin-1-yl)propyl]pyrrolidin-1-yl]propyl]-1-propan-2-ylpiperidine
CID 146610244
2-[(3S)-1-propan-2-ylpyrrolidin-3-yl]ethanamine
CID 94058250
2-fluoro-N-methyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]ethanamine
CID 168724519
(3S)-1-propan-2-ylpyrrolidin-3-amine;dihydrochloride
CID 67298942
3-pentyl-1-propan-2-ylpyrrolidine
CID 145194112

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,6-dihydro-2H-pyran-4-yl)propyl]-1-propan-2-ylpyrrolidine?
The IUPAC name of 3-[2-(3,6-dihydro-2H-pyran-4-yl)propyl]-1-propan-2-ylpyrrolidine (CID 138722365) is 3-[2-(3,6-dihydro-2H-pyran-4-yl)propyl]-1-propan-2-ylpyrrolidine.
What is the SMILES notation for 3-[2-(3,6-dihydro-2H-pyran-4-yl)propyl]-1-propan-2-ylpyrrolidine?
The canonical SMILES for 3-[2-(3,6-dihydro-2H-pyran-4-yl)propyl]-1-propan-2-ylpyrrolidine is CC(CC1CCN(C(C)C)C1)C1=CCOCC1.
What is the InChIKey of 3-[2-(3,6-dihydro-2H-pyran-4-yl)propyl]-1-propan-2-ylpyrrolidine?
The InChIKey is ZLYCYRKZFRDPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-12(2)16-7-4-14(11-16)10-13(3)15-5-8-17-9-6-15/h5,12-14H,4,6-11H2,1-3H3.
What are the key properties of 3-[2-(3,6-dihydro-2H-pyran-4-yl)propyl]-1-propan-2-ylpyrrolidine?
3-[2-(3,6-dihydro-2H-pyran-4-yl)propyl]-1-propan-2-ylpyrrolidine has a molecular weight of 237.39 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,6-dihydro-2H-pyran-4-yl)propyl]-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 138722365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).