3-(propan-2-yloxymethyl)pyrrolidin-1-amine

C8H18N2O — CID 164585125

IUPAC3-(propan-2-yloxymethyl)pyrrolidin-1-amine
SMILESCC(C)OCC1CCN(N)C1
InChIInChI=1S/C8H18N2O/c1-7(2)11-6-8-3-4-10(9)5-8/h7-8H,3-6,9H2,1-2H3
InChIKeyLDAIZDFRTPDYNV-UHFFFAOYSA-N
MW158.25 g/mol
LogP0.61
Rot. Bonds3

About 3-(propan-2-yloxymethyl)pyrrolidin-1-amine

3-(propan-2-yloxymethyl)pyrrolidin-1-amine (PubChem CID 164585125) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is 3-(propan-2-yloxymethyl)pyrrolidin-1-amine.

Molecular Properties

Compound Name3-(propan-2-yloxymethyl)pyrrolidin-1-amine
PubChem CID164585125
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Name3-(propan-2-yloxymethyl)pyrrolidin-1-amine
SMILESCC(C)OCC1CCN(N)C1
InChIInChI=1S/C8H18N2O/c1-7(2)11-6-8-3-4-10(9)5-8/h7-8H,3-6,9H2,1-2H3
InChIKeyLDAIZDFRTPDYNV-UHFFFAOYSA-N
XLogP0.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-yloxymethyl)pyrrolidin-1-amine?
The IUPAC name of 3-(propan-2-yloxymethyl)pyrrolidin-1-amine (CID 164585125) is 3-(propan-2-yloxymethyl)pyrrolidin-1-amine.
What is the SMILES notation for 3-(propan-2-yloxymethyl)pyrrolidin-1-amine?
The canonical SMILES for 3-(propan-2-yloxymethyl)pyrrolidin-1-amine is CC(C)OCC1CCN(N)C1.
What is the InChIKey of 3-(propan-2-yloxymethyl)pyrrolidin-1-amine?
The InChIKey is LDAIZDFRTPDYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-7(2)11-6-8-3-4-10(9)5-8/h7-8H,3-6,9H2,1-2H3.
What are the key properties of 3-(propan-2-yloxymethyl)pyrrolidin-1-amine?
3-(propan-2-yloxymethyl)pyrrolidin-1-amine has a molecular weight of 158.25 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-yloxymethyl)pyrrolidin-1-amine is sourced from PubChem (CID 164585125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).