N-(oxolan-3-ylmethyl)-2-pyrrolidin-1-ylethanamine

C11H22N2O — CID 43203404

IUPACN-(oxolan-3-ylmethyl)-2-pyrrolidin-1-ylethanamine
SMILESC1CCN(CCNCC2CCOC2)C1
InChIInChI=1S/C11H22N2O/c1-2-6-13(5-1)7-4-12-9-11-3-8-14-10-11/h11-12H,1-10H2
InChIKeySHHRASFVMWFIFV-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.71
Rot. Bonds5

About N-(oxolan-3-ylmethyl)-2-pyrrolidin-1-ylethanamine

N-(oxolan-3-ylmethyl)-2-pyrrolidin-1-ylethanamine (PubChem CID 43203404) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-2-pyrrolidin-1-ylethanamine
PubChem CID43203404
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-(oxolan-3-ylmethyl)-2-pyrrolidin-1-ylethanamine
SMILESC1CCN(CCNCC2CCOC2)C1
InChIInChI=1S/C11H22N2O/c1-2-6-13(5-1)7-4-12-9-11-3-8-14-10-11/h11-12H,1-10H2
InChIKeySHHRASFVMWFIFV-UHFFFAOYSA-N
XLogP0.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.71
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)-2-pyrrolidin-1-ylethanamine?
The IUPAC name of N-(oxolan-3-ylmethyl)-2-pyrrolidin-1-ylethanamine (CID 43203404) is N-(oxolan-3-ylmethyl)-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for N-(oxolan-3-ylmethyl)-2-pyrrolidin-1-ylethanamine is C1CCN(CCNCC2CCOC2)C1.
What is the InChIKey of N-(oxolan-3-ylmethyl)-2-pyrrolidin-1-ylethanamine?
The InChIKey is SHHRASFVMWFIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-2-6-13(5-1)7-4-12-9-11-3-8-14-10-11/h11-12H,1-10H2.
What are the key properties of N-(oxolan-3-ylmethyl)-2-pyrrolidin-1-ylethanamine?
N-(oxolan-3-ylmethyl)-2-pyrrolidin-1-ylethanamine has a molecular weight of 198.31 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 43203404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).