3-[(3-propan-2-ylpyrrolidin-1-yl)methyl]oxan-4-amine

C13H26N2O — CID 103060817

IUPAC3-[(3-propan-2-ylpyrrolidin-1-yl)methyl]oxan-4-amine
SMILESCC(C)C1CCN(CC2COCCC2N)C1
InChIInChI=1S/C13H26N2O/c1-10(2)11-3-5-15(7-11)8-12-9-16-6-4-13(12)14/h10-13H,3-9,14H2,1-2H3
InChIKeyUKPVBNZFCMJKIW-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.33
Rot. Bonds3

About 3-[(3-propan-2-ylpyrrolidin-1-yl)methyl]oxan-4-amine

3-[(3-propan-2-ylpyrrolidin-1-yl)methyl]oxan-4-amine (PubChem CID 103060817) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-[(3-propan-2-ylpyrrolidin-1-yl)methyl]oxan-4-amine.

Molecular Properties

Compound Name3-[(3-propan-2-ylpyrrolidin-1-yl)methyl]oxan-4-amine
PubChem CID103060817
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-[(3-propan-2-ylpyrrolidin-1-yl)methyl]oxan-4-amine
SMILESCC(C)C1CCN(CC2COCCC2N)C1
InChIInChI=1S/C13H26N2O/c1-10(2)11-3-5-15(7-11)8-12-9-16-6-4-13(12)14/h10-13H,3-9,14H2,1-2H3
InChIKeyUKPVBNZFCMJKIW-UHFFFAOYSA-N
XLogP1.33
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-propan-2-ylpyrrolidin-1-yl)methyl]oxan-4-amine?
The IUPAC name of 3-[(3-propan-2-ylpyrrolidin-1-yl)methyl]oxan-4-amine (CID 103060817) is 3-[(3-propan-2-ylpyrrolidin-1-yl)methyl]oxan-4-amine.
What is the SMILES notation for 3-[(3-propan-2-ylpyrrolidin-1-yl)methyl]oxan-4-amine?
The canonical SMILES for 3-[(3-propan-2-ylpyrrolidin-1-yl)methyl]oxan-4-amine is CC(C)C1CCN(CC2COCCC2N)C1.
What is the InChIKey of 3-[(3-propan-2-ylpyrrolidin-1-yl)methyl]oxan-4-amine?
The InChIKey is UKPVBNZFCMJKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10(2)11-3-5-15(7-11)8-12-9-16-6-4-13(12)14/h10-13H,3-9,14H2,1-2H3.
What are the key properties of 3-[(3-propan-2-ylpyrrolidin-1-yl)methyl]oxan-4-amine?
3-[(3-propan-2-ylpyrrolidin-1-yl)methyl]oxan-4-amine has a molecular weight of 226.36 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-propan-2-ylpyrrolidin-1-yl)methyl]oxan-4-amine is sourced from PubChem (CID 103060817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).