4-(methoxymethyl)pyrrolidin-3-amine

C6H14N2O — CID 15023856

IUPAC4-(methoxymethyl)pyrrolidin-3-amine
SMILESCOCC1CNCC1N
InChIInChI=1S/C6H14N2O/c1-9-4-5-2-8-3-6(5)7/h5-6,8H,2-4,7H2,1H3
InChIKeyJMZZAILQTVJHRB-UHFFFAOYSA-N
MW130.19 g/mol
LogP-0.82
Rot. Bonds2

About 4-(methoxymethyl)pyrrolidin-3-amine

4-(methoxymethyl)pyrrolidin-3-amine (PubChem CID 15023856) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is 4-(methoxymethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name4-(methoxymethyl)pyrrolidin-3-amine
PubChem CID15023856
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name4-(methoxymethyl)pyrrolidin-3-amine
SMILESCOCC1CNCC1N
InChIInChI=1S/C6H14N2O/c1-9-4-5-2-8-3-6(5)7/h5-6,8H,2-4,7H2,1H3
InChIKeyJMZZAILQTVJHRB-UHFFFAOYSA-N
XLogP-0.82
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)pyrrolidin-3-amine?
The IUPAC name of 4-(methoxymethyl)pyrrolidin-3-amine (CID 15023856) is 4-(methoxymethyl)pyrrolidin-3-amine.
What is the SMILES notation for 4-(methoxymethyl)pyrrolidin-3-amine?
The canonical SMILES for 4-(methoxymethyl)pyrrolidin-3-amine is COCC1CNCC1N.
What is the InChIKey of 4-(methoxymethyl)pyrrolidin-3-amine?
The InChIKey is JMZZAILQTVJHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c1-9-4-5-2-8-3-6(5)7/h5-6,8H,2-4,7H2,1H3.
What are the key properties of 4-(methoxymethyl)pyrrolidin-3-amine?
4-(methoxymethyl)pyrrolidin-3-amine has a molecular weight of 130.19 g/mol, XLogP of -0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)pyrrolidin-3-amine is sourced from PubChem (CID 15023856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).