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

C8H18N2O — CID 82706683

IUPACN-methoxy-1-propan-2-ylpyrrolidin-3-amine
SMILESCONC1CCN(C(C)C)C1
InChIInChI=1S/C8H18N2O/c1-7(2)10-5-4-8(6-10)9-11-3/h7-9H,4-6H2,1-3H3
InChIKeyWDPPROZWFTZVGV-UHFFFAOYSA-N
MW158.24 g/mol
LogP0.62
Rot. Bonds3

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

N-methoxy-1-propan-2-ylpyrrolidin-3-amine (PubChem CID 82706683) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is N-methoxy-1-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-methoxy-1-propan-2-ylpyrrolidin-3-amine
PubChem CID82706683
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC NameN-methoxy-1-propan-2-ylpyrrolidin-3-amine
SMILESCONC1CCN(C(C)C)C1
InChIInChI=1S/C8H18N2O/c1-7(2)10-5-4-8(6-10)9-11-3/h7-9H,4-6H2,1-3H3
InChIKeyWDPPROZWFTZVGV-UHFFFAOYSA-N
XLogP0.62
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.62
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-methoxy-1-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of N-methoxy-1-propan-2-ylpyrrolidin-3-amine (CID 82706683) is N-methoxy-1-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for N-methoxy-1-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for N-methoxy-1-propan-2-ylpyrrolidin-3-amine is CONC1CCN(C(C)C)C1.
What is the InChIKey of N-methoxy-1-propan-2-ylpyrrolidin-3-amine?
The InChIKey is WDPPROZWFTZVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-7(2)10-5-4-8(6-10)9-11-3/h7-9H,4-6H2,1-3H3.
What are the key properties of N-methoxy-1-propan-2-ylpyrrolidin-3-amine?
N-methoxy-1-propan-2-ylpyrrolidin-3-amine has a molecular weight of 158.24 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 82706683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).