N-(oxolan-3-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine

C12H24N2O — CID 43203894

IUPACN-(oxolan-3-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
SMILESC1CCN(CCCNCC2CCOC2)C1
InChIInChI=1S/C12H24N2O/c1-2-7-14(6-1)8-3-5-13-10-12-4-9-15-11-12/h12-13H,1-11H2
InChIKeyWQLLPTPSOXCRBU-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.10
Rot. Bonds6

About N-(oxolan-3-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine

N-(oxolan-3-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 43203894) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID43203894
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-(oxolan-3-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
SMILESC1CCN(CCCNCC2CCOC2)C1
InChIInChI=1S/C12H24N2O/c1-2-7-14(6-1)8-3-5-13-10-12-4-9-15-11-12/h12-13H,1-11H2
InChIKeyWQLLPTPSOXCRBU-UHFFFAOYSA-N
XLogP1.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
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-(oxolan-3-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of N-(oxolan-3-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine (CID 43203894) is N-(oxolan-3-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for N-(oxolan-3-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine is C1CCN(CCCNCC2CCOC2)C1.
What is the InChIKey of N-(oxolan-3-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is WQLLPTPSOXCRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-2-7-14(6-1)8-3-5-13-10-12-4-9-15-11-12/h12-13H,1-11H2.
What are the key properties of N-(oxolan-3-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine?
N-(oxolan-3-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 212.34 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 43203894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).