3-pyrrolidin-3-yloxypropan-1-amine

C7H16N2O — CID 54052524

IUPAC3-pyrrolidin-3-yloxypropan-1-amine
SMILESNCCCOC1CCNC1
InChIInChI=1S/C7H16N2O/c8-3-1-5-10-7-2-4-9-6-7/h7,9H,1-6,8H2
InChIKeyTXBBNDFDQVVSNI-UHFFFAOYSA-N
MW144.22 g/mol
LogP-0.29
Rot. Bonds4

About 3-pyrrolidin-3-yloxypropan-1-amine

3-pyrrolidin-3-yloxypropan-1-amine (PubChem CID 54052524) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is 3-pyrrolidin-3-yloxypropan-1-amine.

Molecular Properties

Compound Name3-pyrrolidin-3-yloxypropan-1-amine
PubChem CID54052524
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name3-pyrrolidin-3-yloxypropan-1-amine
SMILESNCCCOC1CCNC1
InChIInChI=1S/C7H16N2O/c8-3-1-5-10-7-2-4-9-6-7/h7,9H,1-6,8H2
InChIKeyTXBBNDFDQVVSNI-UHFFFAOYSA-N
XLogP-0.29
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
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 3-pyrrolidin-3-yloxypropan-1-amine?
The IUPAC name of 3-pyrrolidin-3-yloxypropan-1-amine (CID 54052524) is 3-pyrrolidin-3-yloxypropan-1-amine.
What is the SMILES notation for 3-pyrrolidin-3-yloxypropan-1-amine?
The canonical SMILES for 3-pyrrolidin-3-yloxypropan-1-amine is NCCCOC1CCNC1.
What is the InChIKey of 3-pyrrolidin-3-yloxypropan-1-amine?
The InChIKey is TXBBNDFDQVVSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c8-3-1-5-10-7-2-4-9-6-7/h7,9H,1-6,8H2.
What are the key properties of 3-pyrrolidin-3-yloxypropan-1-amine?
3-pyrrolidin-3-yloxypropan-1-amine has a molecular weight of 144.22 g/mol, XLogP of -0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-3-yloxypropan-1-amine is sourced from PubChem (CID 54052524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).