N-(3-methoxypropyl)-3-pyrrolidin-1-ylpropan-1-amine

C11H24N2O — CID 61494297

IUPACN-(3-methoxypropyl)-3-pyrrolidin-1-ylpropan-1-amine
SMILESCOCCCNCCCN1CCCC1
InChIInChI=1S/C11H24N2O/c1-14-11-5-7-12-6-4-10-13-8-2-3-9-13/h12H,2-11H2,1H3
InChIKeyDALOUQUDWYVHON-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.10
Rot. Bonds8

About N-(3-methoxypropyl)-3-pyrrolidin-1-ylpropan-1-amine

N-(3-methoxypropyl)-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 61494297) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is N-(3-methoxypropyl)-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID61494297
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC NameN-(3-methoxypropyl)-3-pyrrolidin-1-ylpropan-1-amine
SMILESCOCCCNCCCN1CCCC1
InChIInChI=1S/C11H24N2O/c1-14-11-5-7-12-6-4-10-13-8-2-3-9-13/h12H,2-11H2,1H3
InChIKeyDALOUQUDWYVHON-UHFFFAOYSA-N
XLogP1.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.10
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 N-(3-methoxypropyl)-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of N-(3-methoxypropyl)-3-pyrrolidin-1-ylpropan-1-amine (CID 61494297) is N-(3-methoxypropyl)-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for N-(3-methoxypropyl)-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for N-(3-methoxypropyl)-3-pyrrolidin-1-ylpropan-1-amine is COCCCNCCCN1CCCC1.
What is the InChIKey of N-(3-methoxypropyl)-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is DALOUQUDWYVHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-14-11-5-7-12-6-4-10-13-8-2-3-9-13/h12H,2-11H2,1H3.
What are the key properties of N-(3-methoxypropyl)-3-pyrrolidin-1-ylpropan-1-amine?
N-(3-methoxypropyl)-3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 200.33 g/mol, XLogP of 1.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 61494297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).