[3-(2-aminoethyl)-1-methylpyrrolidin-3-yl]methanol

C8H18N2O — CID 115012399

IUPAC[3-(2-aminoethyl)-1-methylpyrrolidin-3-yl]methanol
SMILESCN1CCC(CO)(CCN)C1
InChIInChI=1S/C8H18N2O/c1-10-5-3-8(6-10,7-11)2-4-9/h11H,2-7,9H2,1H3
InChIKeySPWOYRALNNNNHJ-UHFFFAOYSA-N
MW158.24 g/mol
LogP-0.35
Rot. Bonds3

About [3-(2-aminoethyl)-1-methylpyrrolidin-3-yl]methanol

[3-(2-aminoethyl)-1-methylpyrrolidin-3-yl]methanol (PubChem CID 115012399) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is [3-(2-aminoethyl)-1-methylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[3-(2-aminoethyl)-1-methylpyrrolidin-3-yl]methanol
PubChem CID115012399
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name[3-(2-aminoethyl)-1-methylpyrrolidin-3-yl]methanol
SMILESCN1CCC(CO)(CCN)C1
InChIInChI=1S/C8H18N2O/c1-10-5-3-8(6-10,7-11)2-4-9/h11H,2-7,9H2,1H3
InChIKeySPWOYRALNNNNHJ-UHFFFAOYSA-N
XLogP-0.35
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(2-aminoethyl)-1-methylpyrrolidin-3-yl]methanol?
The IUPAC name of [3-(2-aminoethyl)-1-methylpyrrolidin-3-yl]methanol (CID 115012399) is [3-(2-aminoethyl)-1-methylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [3-(2-aminoethyl)-1-methylpyrrolidin-3-yl]methanol?
The canonical SMILES for [3-(2-aminoethyl)-1-methylpyrrolidin-3-yl]methanol is CN1CCC(CO)(CCN)C1.
What is the InChIKey of [3-(2-aminoethyl)-1-methylpyrrolidin-3-yl]methanol?
The InChIKey is SPWOYRALNNNNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-10-5-3-8(6-10,7-11)2-4-9/h11H,2-7,9H2,1H3.
What are the key properties of [3-(2-aminoethyl)-1-methylpyrrolidin-3-yl]methanol?
[3-(2-aminoethyl)-1-methylpyrrolidin-3-yl]methanol has a molecular weight of 158.24 g/mol, XLogP of -0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminoethyl)-1-methylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 115012399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).