N-ethoxypyrrolidin-2-amine

C6H14N2O — CID 87421061

IUPACN-ethoxypyrrolidin-2-amine
SMILESCCONC1CCCN1
InChIInChI=1S/C6H14N2O/c1-2-9-8-6-4-3-5-7-6/h6-8H,2-5H2,1H3
InChIKeyRCGPKAUVCZOIIO-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.24
Rot. Bonds3

About N-ethoxypyrrolidin-2-amine

N-ethoxypyrrolidin-2-amine (PubChem CID 87421061) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is N-ethoxypyrrolidin-2-amine.

Molecular Properties

Compound NameN-ethoxypyrrolidin-2-amine
PubChem CID87421061
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC NameN-ethoxypyrrolidin-2-amine
SMILESCCONC1CCCN1
InChIInChI=1S/C6H14N2O/c1-2-9-8-6-4-3-5-7-6/h6-8H,2-5H2,1H3
InChIKeyRCGPKAUVCZOIIO-UHFFFAOYSA-N
XLogP0.24
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethoxypyrrolidin-2-amine?
The IUPAC name of N-ethoxypyrrolidin-2-amine (CID 87421061) is N-ethoxypyrrolidin-2-amine.
What is the SMILES notation for N-ethoxypyrrolidin-2-amine?
The canonical SMILES for N-ethoxypyrrolidin-2-amine is CCONC1CCCN1.
What is the InChIKey of N-ethoxypyrrolidin-2-amine?
The InChIKey is RCGPKAUVCZOIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c1-2-9-8-6-4-3-5-7-6/h6-8H,2-5H2,1H3.
What are the key properties of N-ethoxypyrrolidin-2-amine?
N-ethoxypyrrolidin-2-amine has a molecular weight of 130.19 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxypyrrolidin-2-amine is sourced from PubChem (CID 87421061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).