[1-(3-methoxypropyl)pyrrolidin-3-yl]methanamine

C9H20N2O — CID 17389974

IUPAC[1-(3-methoxypropyl)pyrrolidin-3-yl]methanamine
SMILESCOCCCN1CCC(CN)C1
InChIInChI=1S/C9H20N2O/c1-12-6-2-4-11-5-3-9(7-10)8-11/h9H,2-8,10H2,1H3
InChIKeyFURWGAXOMMXUJR-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.30
Rot. Bonds5

About [1-(3-methoxypropyl)pyrrolidin-3-yl]methanamine

[1-(3-methoxypropyl)pyrrolidin-3-yl]methanamine (PubChem CID 17389974) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is [1-(3-methoxypropyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(3-methoxypropyl)pyrrolidin-3-yl]methanamine
PubChem CID17389974
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name[1-(3-methoxypropyl)pyrrolidin-3-yl]methanamine
SMILESCOCCCN1CCC(CN)C1
InChIInChI=1S/C9H20N2O/c1-12-6-2-4-11-5-3-9(7-10)8-11/h9H,2-8,10H2,1H3
InChIKeyFURWGAXOMMXUJR-UHFFFAOYSA-N
XLogP0.30
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(3-methoxypropyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(3-methoxypropyl)pyrrolidin-3-yl]methanamine (CID 17389974) is [1-(3-methoxypropyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(3-methoxypropyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(3-methoxypropyl)pyrrolidin-3-yl]methanamine is COCCCN1CCC(CN)C1.
What is the InChIKey of [1-(3-methoxypropyl)pyrrolidin-3-yl]methanamine?
The InChIKey is FURWGAXOMMXUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-12-6-2-4-11-5-3-9(7-10)8-11/h9H,2-8,10H2,1H3.
What are the key properties of [1-(3-methoxypropyl)pyrrolidin-3-yl]methanamine?
[1-(3-methoxypropyl)pyrrolidin-3-yl]methanamine has a molecular weight of 172.27 g/mol, XLogP of 0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methoxypropyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 17389974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).