[1-(2-methoxyethyl)pyrrolidin-3-yl]methanamine

C8H18N2O — CID 17389989

IUPAC[1-(2-methoxyethyl)pyrrolidin-3-yl]methanamine
SMILESCOCCN1CCC(CN)C1
InChIInChI=1S/C8H18N2O/c1-11-5-4-10-3-2-8(6-9)7-10/h8H,2-7,9H2,1H3
InChIKeySVWDIDWSZJLAMB-UHFFFAOYSA-N
MW158.24 g/mol
LogP-0.09
Rot. Bonds4

About [1-(2-methoxyethyl)pyrrolidin-3-yl]methanamine

[1-(2-methoxyethyl)pyrrolidin-3-yl]methanamine (PubChem CID 17389989) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is [1-(2-methoxyethyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2-methoxyethyl)pyrrolidin-3-yl]methanamine
PubChem CID17389989
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name[1-(2-methoxyethyl)pyrrolidin-3-yl]methanamine
SMILESCOCCN1CCC(CN)C1
InChIInChI=1S/C8H18N2O/c1-11-5-4-10-3-2-8(6-9)7-10/h8H,2-7,9H2,1H3
InChIKeySVWDIDWSZJLAMB-UHFFFAOYSA-N
XLogP-0.09
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyethyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(2-methoxyethyl)pyrrolidin-3-yl]methanamine (CID 17389989) is [1-(2-methoxyethyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(2-methoxyethyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(2-methoxyethyl)pyrrolidin-3-yl]methanamine is COCCN1CCC(CN)C1.
What is the InChIKey of [1-(2-methoxyethyl)pyrrolidin-3-yl]methanamine?
The InChIKey is SVWDIDWSZJLAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-11-5-4-10-3-2-8(6-9)7-10/h8H,2-7,9H2,1H3.
What are the key properties of [1-(2-methoxyethyl)pyrrolidin-3-yl]methanamine?
[1-(2-methoxyethyl)pyrrolidin-3-yl]methanamine has a molecular weight of 158.24 g/mol, XLogP of -0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyethyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 17389989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).