[3-(methoxymethyl)pyrrolidin-3-yl]methanamine

C7H16N2O — CID 89153435

IUPAC[3-(methoxymethyl)pyrrolidin-3-yl]methanamine
SMILESCOCC1(CN)CCNC1
InChIInChI=1S/C7H16N2O/c1-10-6-7(4-8)2-3-9-5-7/h9H,2-6,8H2,1H3
InChIKeyHCMNBNDFAABNNL-UHFFFAOYSA-N
MW144.22 g/mol
LogP-0.43
Rot. Bonds3

About [3-(methoxymethyl)pyrrolidin-3-yl]methanamine

[3-(methoxymethyl)pyrrolidin-3-yl]methanamine (PubChem CID 89153435) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is [3-(methoxymethyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[3-(methoxymethyl)pyrrolidin-3-yl]methanamine
PubChem CID89153435
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name[3-(methoxymethyl)pyrrolidin-3-yl]methanamine
SMILESCOCC1(CN)CCNC1
InChIInChI=1S/C7H16N2O/c1-10-6-7(4-8)2-3-9-5-7/h9H,2-6,8H2,1H3
InChIKeyHCMNBNDFAABNNL-UHFFFAOYSA-N
XLogP-0.43
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(methoxymethyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [3-(methoxymethyl)pyrrolidin-3-yl]methanamine (CID 89153435) is [3-(methoxymethyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [3-(methoxymethyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [3-(methoxymethyl)pyrrolidin-3-yl]methanamine is COCC1(CN)CCNC1.
What is the InChIKey of [3-(methoxymethyl)pyrrolidin-3-yl]methanamine?
The InChIKey is HCMNBNDFAABNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-10-6-7(4-8)2-3-9-5-7/h9H,2-6,8H2,1H3.
What are the key properties of [3-(methoxymethyl)pyrrolidin-3-yl]methanamine?
[3-(methoxymethyl)pyrrolidin-3-yl]methanamine has a molecular weight of 144.22 g/mol, XLogP of -0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methoxymethyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 89153435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).