ethane;4-methyl-3,6-dihydro-2H-pyran;2-methylpyrrolidine

C15H33NO — CID 166094131

IUPACethane;4-methyl-3,6-dihydro-2H-pyran;2-methylpyrrolidine
SMILESCC.CC.CC1=CCOCC1.CC1CCCN1
InChIInChI=1S/C6H10O.C5H11N.2C2H6/c1-6-2-4-7-5-3-6;1-5-3-2-4-6-5;2*1-2/h2H,3-5H2,1H3;5-6H,2-4H2,1H3;2*1-2H3
InChIKeyMIWYYCBAIINRKF-UHFFFAOYSA-N
MW243.43 g/mol
LogP4.16
Rot. Bonds

About ethane;4-methyl-3,6-dihydro-2H-pyran;2-methylpyrrolidine

ethane;4-methyl-3,6-dihydro-2H-pyran;2-methylpyrrolidine (PubChem CID 166094131) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is ethane;4-methyl-3,6-dihydro-2H-pyran;2-methylpyrrolidine.

Molecular Properties

Compound Nameethane;4-methyl-3,6-dihydro-2H-pyran;2-methylpyrrolidine
PubChem CID166094131
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC Nameethane;4-methyl-3,6-dihydro-2H-pyran;2-methylpyrrolidine
SMILESCC.CC.CC1=CCOCC1.CC1CCCN1
InChIInChI=1S/C6H10O.C5H11N.2C2H6/c1-6-2-4-7-5-3-6;1-5-3-2-4-6-5;2*1-2/h2H,3-5H2,1H3;5-6H,2-4H2,1H3;2*1-2H3
InChIKeyMIWYYCBAIINRKF-UHFFFAOYSA-N
XLogP4.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]hex-5-en-2-amine
CID 104583559
4-(methoxymethyl)-1-(2-pyrrolidin-2-ylethyl)-3,6-dihydro-2H-pyridine
CID 114410943
4-(methoxymethyl)-1-(pyrrolidin-2-ylmethyl)-3,6-dihydro-2H-pyridine
CID 114410989
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 115674355
N-(3,6-dihydro-2H-pyran-5-ylmethyl)pentan-2-amine
CID 115741720
N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclopentanamine
CID 115741736
N-(3,6-dihydro-2H-pyran-5-ylmethyl)pentan-3-amine
CID 115741739
N-(3,6-dihydro-2H-pyran-5-ylmethyl)heptan-2-amine
CID 115741741
N-(3,6-dihydro-2H-pyran-5-ylmethyl)pentan-1-amine
CID 115741757
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(1-methylpyrrolidin-2-yl)methanamine
CID 115741913
N-(3,6-dihydro-2H-pyran-5-ylmethyl)hexan-3-amine
CID 115741998
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
CID 115742215

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-3,6-dihydro-2H-pyran;2-methylpyrrolidine?
The IUPAC name of ethane;4-methyl-3,6-dihydro-2H-pyran;2-methylpyrrolidine (CID 166094131) is ethane;4-methyl-3,6-dihydro-2H-pyran;2-methylpyrrolidine.
What is the SMILES notation for ethane;4-methyl-3,6-dihydro-2H-pyran;2-methylpyrrolidine?
The canonical SMILES for ethane;4-methyl-3,6-dihydro-2H-pyran;2-methylpyrrolidine is CC.CC.CC1=CCOCC1.CC1CCCN1.
What is the InChIKey of ethane;4-methyl-3,6-dihydro-2H-pyran;2-methylpyrrolidine?
The InChIKey is MIWYYCBAIINRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.C5H11N.2C2H6/c1-6-2-4-7-5-3-6;1-5-3-2-4-6-5;2*1-2/h2H,3-5H2,1H3;5-6H,2-4H2,1H3;2*1-2H3.
What are the key properties of ethane;4-methyl-3,6-dihydro-2H-pyran;2-methylpyrrolidine?
ethane;4-methyl-3,6-dihydro-2H-pyran;2-methylpyrrolidine has a molecular weight of 243.43 g/mol, XLogP of 4.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-3,6-dihydro-2H-pyran;2-methylpyrrolidine is sourced from PubChem (CID 166094131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).