N-(oxan-4-yl)-1-prop-1-en-2-ylpyrrolidin-3-amine

C12H22N2O — CID 143675078

IUPACN-(oxan-4-yl)-1-prop-1-en-2-ylpyrrolidin-3-amine
SMILESC=C(C)N1CCC(NC2CCOCC2)C1
InChIInChI=1S/C12H22N2O/c1-10(2)14-6-3-12(9-14)13-11-4-7-15-8-5-11/h11-13H,1,3-9H2,2H3
InChIKeyOPTANNUHVKRCMM-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.36
Rot. Bonds3

About N-(oxan-4-yl)-1-prop-1-en-2-ylpyrrolidin-3-amine

N-(oxan-4-yl)-1-prop-1-en-2-ylpyrrolidin-3-amine (PubChem CID 143675078) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-(oxan-4-yl)-1-prop-1-en-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(oxan-4-yl)-1-prop-1-en-2-ylpyrrolidin-3-amine
PubChem CID143675078
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-(oxan-4-yl)-1-prop-1-en-2-ylpyrrolidin-3-amine
SMILESC=C(C)N1CCC(NC2CCOCC2)C1
InChIInChI=1S/C12H22N2O/c1-10(2)14-6-3-12(9-14)13-11-4-7-15-8-5-11/h11-13H,1,3-9H2,2H3
InChIKeyOPTANNUHVKRCMM-UHFFFAOYSA-N
XLogP1.36
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-1-prop-1-en-2-ylpyrrolidin-3-amine?
The IUPAC name of N-(oxan-4-yl)-1-prop-1-en-2-ylpyrrolidin-3-amine (CID 143675078) is N-(oxan-4-yl)-1-prop-1-en-2-ylpyrrolidin-3-amine.
What is the SMILES notation for N-(oxan-4-yl)-1-prop-1-en-2-ylpyrrolidin-3-amine?
The canonical SMILES for N-(oxan-4-yl)-1-prop-1-en-2-ylpyrrolidin-3-amine is C=C(C)N1CCC(NC2CCOCC2)C1.
What is the InChIKey of N-(oxan-4-yl)-1-prop-1-en-2-ylpyrrolidin-3-amine?
The InChIKey is OPTANNUHVKRCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-10(2)14-6-3-12(9-14)13-11-4-7-15-8-5-11/h11-13H,1,3-9H2,2H3.
What are the key properties of N-(oxan-4-yl)-1-prop-1-en-2-ylpyrrolidin-3-amine?
N-(oxan-4-yl)-1-prop-1-en-2-ylpyrrolidin-3-amine has a molecular weight of 210.32 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-1-prop-1-en-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 143675078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).