ethane;1-(1-propan-2-ylpyrrolidin-3-yl)ethanol

C11H25NO — CID 176573515

IUPACethane;1-(1-propan-2-ylpyrrolidin-3-yl)ethanol
SMILESCC.CC(O)C1CCN(C(C)C)C1
InChIInChI=1S/C9H19NO.C2H6/c1-7(2)10-5-4-9(6-10)8(3)11;1-2/h7-9,11H,4-6H2,1-3H3;1-2H3
InChIKeyRMSYPVMHHNEJBM-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.12
Rot. Bonds2

About ethane;1-(1-propan-2-ylpyrrolidin-3-yl)ethanol

ethane;1-(1-propan-2-ylpyrrolidin-3-yl)ethanol (PubChem CID 176573515) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is ethane;1-(1-propan-2-ylpyrrolidin-3-yl)ethanol.

Molecular Properties

Compound Nameethane;1-(1-propan-2-ylpyrrolidin-3-yl)ethanol
PubChem CID176573515
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Nameethane;1-(1-propan-2-ylpyrrolidin-3-yl)ethanol
SMILESCC.CC(O)C1CCN(C(C)C)C1
InChIInChI=1S/C9H19NO.C2H6/c1-7(2)10-5-4-9(6-10)8(3)11;1-2/h7-9,11H,4-6H2,1-3H3;1-2H3
InChIKeyRMSYPVMHHNEJBM-UHFFFAOYSA-N
XLogP2.12
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-but-3-en-2-ylpyrrolidin-3-yl)ethanol
CID 112628254
(1R)-1-[(3R)-1-propan-2-ylpyrrolidin-3-yl]ethanamine
CID 140940785
2-(1-propan-2-ylpyrrolidin-3-yl)propane-1,3-diamine
CID 117237616
2-(cyclopropylamino)-1-(1-propan-2-ylpyrrolidin-3-yl)ethanol
CID 117237105
(1S)-1-[(3S)-1-phosphanylpyrrolidin-3-yl]ethanol
CID 59544008
3-amino-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol
CID 117237622
1,4-di(propan-2-yl)piperidine
CID 21303253
1-[1-(4-amino-2,2-dimethylhexan-3-yl)pyrrolidin-3-yl]ethanol
CID 112624601
methyl 3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-methylbutanoate
CID 112626240
ethane;3-methyl-1-propan-2-ylpyrrolidine
CID 156888189
(3S)-1-propan-2-ylpyrrolidin-3-ol
CID 45087375
3-methylsulfanyl-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol
CID 117238037

Frequently Asked Questions

What is the IUPAC name of ethane;1-(1-propan-2-ylpyrrolidin-3-yl)ethanol?
The IUPAC name of ethane;1-(1-propan-2-ylpyrrolidin-3-yl)ethanol (CID 176573515) is ethane;1-(1-propan-2-ylpyrrolidin-3-yl)ethanol.
What is the SMILES notation for ethane;1-(1-propan-2-ylpyrrolidin-3-yl)ethanol?
The canonical SMILES for ethane;1-(1-propan-2-ylpyrrolidin-3-yl)ethanol is CC.CC(O)C1CCN(C(C)C)C1.
What is the InChIKey of ethane;1-(1-propan-2-ylpyrrolidin-3-yl)ethanol?
The InChIKey is RMSYPVMHHNEJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.C2H6/c1-7(2)10-5-4-9(6-10)8(3)11;1-2/h7-9,11H,4-6H2,1-3H3;1-2H3.
What are the key properties of ethane;1-(1-propan-2-ylpyrrolidin-3-yl)ethanol?
ethane;1-(1-propan-2-ylpyrrolidin-3-yl)ethanol has a molecular weight of 187.33 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(1-propan-2-ylpyrrolidin-3-yl)ethanol is sourced from PubChem (CID 176573515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).