ethane;[3-(hydroxymethyl)-1-methylpyrrolidin-3-yl]methanol;1-methylpyrrolidine

C14H32N2O2 — CID 178098213

IUPACethane;[3-(hydroxymethyl)-1-methylpyrrolidin-3-yl]methanol;1-methylpyrrolidine
SMILESCC.CN1CCC(CO)(CO)C1.CN1CCCC1
InChIInChI=1S/C7H15NO2.C5H11N.C2H6/c1-8-3-2-7(4-8,5-9)6-10;1-6-4-2-3-5-6;1-2/h9-10H,2-6H2,1H3;2-5H2,1H3;1-2H3
InChIKeyLKOJZZAYNJTLFI-UHFFFAOYSA-N
MW260.42 g/mol
LogP1.03
Rot. Bonds2

About ethane;[3-(hydroxymethyl)-1-methylpyrrolidin-3-yl]methanol;1-methylpyrrolidine

ethane;[3-(hydroxymethyl)-1-methylpyrrolidin-3-yl]methanol;1-methylpyrrolidine (PubChem CID 178098213) has the molecular formula C14H32N2O2 and a molecular weight of 260.42 g/mol. Its IUPAC name is ethane;[3-(hydroxymethyl)-1-methylpyrrolidin-3-yl]methanol;1-methylpyrrolidine.

Molecular Properties

Compound Nameethane;[3-(hydroxymethyl)-1-methylpyrrolidin-3-yl]methanol;1-methylpyrrolidine
PubChem CID178098213
Molecular FormulaC14H32N2O2
Molecular Weight260.42 g/mol
Exact Mass260.25
IUPAC Nameethane;[3-(hydroxymethyl)-1-methylpyrrolidin-3-yl]methanol;1-methylpyrrolidine
SMILESCC.CN1CCC(CO)(CO)C1.CN1CCCC1
InChIInChI=1S/C7H15NO2.C5H11N.C2H6/c1-8-3-2-7(4-8,5-9)6-10;1-6-4-2-3-5-6;1-2/h9-10H,2-6H2,1H3;2-5H2,1H3;1-2H3
InChIKeyLKOJZZAYNJTLFI-UHFFFAOYSA-N
XLogP1.03
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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[3-(Hydroxymethyl)-1-methylpyrrolidin-3-yl]methanol
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(1-Ethyl-3-methylpyrrolidin-3-yl)methanol
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CID 164870297
[3-(Hydroxymethyl)-1-propan-2-ylpyrrolidin-3-yl]methanol
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[3-(Hydroxymethyl)-1-(2-methylpropyl)pyrrolidin-3-yl]methanol
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[3-(Pyrrolidin-1-ylmethyl)tetrahydrofuran-3-yl]methanol
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[3-[(3-Methylpyrrolidin-1-yl)methyl]oxolan-3-yl]methanol
CID 62272752

Frequently Asked Questions

What is the IUPAC name of ethane;[3-(hydroxymethyl)-1-methylpyrrolidin-3-yl]methanol;1-methylpyrrolidine?
The IUPAC name of ethane;[3-(hydroxymethyl)-1-methylpyrrolidin-3-yl]methanol;1-methylpyrrolidine (CID 178098213) is ethane;[3-(hydroxymethyl)-1-methylpyrrolidin-3-yl]methanol;1-methylpyrrolidine.
What is the SMILES notation for ethane;[3-(hydroxymethyl)-1-methylpyrrolidin-3-yl]methanol;1-methylpyrrolidine?
The canonical SMILES for ethane;[3-(hydroxymethyl)-1-methylpyrrolidin-3-yl]methanol;1-methylpyrrolidine is CC.CN1CCC(CO)(CO)C1.CN1CCCC1.
What is the InChIKey of ethane;[3-(hydroxymethyl)-1-methylpyrrolidin-3-yl]methanol;1-methylpyrrolidine?
The InChIKey is LKOJZZAYNJTLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.C5H11N.C2H6/c1-8-3-2-7(4-8,5-9)6-10;1-6-4-2-3-5-6;1-2/h9-10H,2-6H2,1H3;2-5H2,1H3;1-2H3.
What are the key properties of ethane;[3-(hydroxymethyl)-1-methylpyrrolidin-3-yl]methanol;1-methylpyrrolidine?
ethane;[3-(hydroxymethyl)-1-methylpyrrolidin-3-yl]methanol;1-methylpyrrolidine has a molecular weight of 260.42 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[3-(hydroxymethyl)-1-methylpyrrolidin-3-yl]methanol;1-methylpyrrolidine is sourced from PubChem (CID 178098213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).