N-ethoxy-1-propan-2-ylpyrrolidin-3-amine

C9H20N2O — CID 82709010

IUPACN-ethoxy-1-propan-2-ylpyrrolidin-3-amine
SMILESCCONC1CCN(C(C)C)C1
InChIInChI=1S/C9H20N2O/c1-4-12-10-9-5-6-11(7-9)8(2)3/h8-10H,4-7H2,1-3H3
InChIKeyBDMUAEYKHQVELE-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.01
Rot. Bonds4

About N-ethoxy-1-propan-2-ylpyrrolidin-3-amine

N-ethoxy-1-propan-2-ylpyrrolidin-3-amine (PubChem CID 82709010) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N-ethoxy-1-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-ethoxy-1-propan-2-ylpyrrolidin-3-amine
PubChem CID82709010
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN-ethoxy-1-propan-2-ylpyrrolidin-3-amine
SMILESCCONC1CCN(C(C)C)C1
InChIInChI=1S/C9H20N2O/c1-4-12-10-9-5-6-11(7-9)8(2)3/h8-10H,4-7H2,1-3H3
InChIKeyBDMUAEYKHQVELE-UHFFFAOYSA-N
XLogP1.01
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.01
H-Bond Donors ≤ 51
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-ethoxy-1-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of N-ethoxy-1-propan-2-ylpyrrolidin-3-amine (CID 82709010) is N-ethoxy-1-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for N-ethoxy-1-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for N-ethoxy-1-propan-2-ylpyrrolidin-3-amine is CCONC1CCN(C(C)C)C1.
What is the InChIKey of N-ethoxy-1-propan-2-ylpyrrolidin-3-amine?
The InChIKey is BDMUAEYKHQVELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-4-12-10-9-5-6-11(7-9)8(2)3/h8-10H,4-7H2,1-3H3.
What are the key properties of N-ethoxy-1-propan-2-ylpyrrolidin-3-amine?
N-ethoxy-1-propan-2-ylpyrrolidin-3-amine has a molecular weight of 172.27 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-1-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 82709010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).