[1-[2-(1,3-dioxan-2-yl)ethyl]pyrrolidin-3-yl]methanamine

C11H22N2O2 — CID 66473725

IUPAC[1-[2-(1,3-dioxan-2-yl)ethyl]pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(CCC2OCCCO2)C1
InChIInChI=1S/C11H22N2O2/c12-8-10-2-4-13(9-10)5-3-11-14-6-1-7-15-11/h10-11H,1-9,12H2
InChIKeyLCGPHGJLCCJMHV-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.42
Rot. Bonds4

About [1-[2-(1,3-dioxan-2-yl)ethyl]pyrrolidin-3-yl]methanamine

[1-[2-(1,3-dioxan-2-yl)ethyl]pyrrolidin-3-yl]methanamine (PubChem CID 66473725) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is [1-[2-(1,3-dioxan-2-yl)ethyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(1,3-dioxan-2-yl)ethyl]pyrrolidin-3-yl]methanamine
PubChem CID66473725
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name[1-[2-(1,3-dioxan-2-yl)ethyl]pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(CCC2OCCCO2)C1
InChIInChI=1S/C11H22N2O2/c12-8-10-2-4-13(9-10)5-3-11-14-6-1-7-15-11/h10-11H,1-9,12H2
InChIKeyLCGPHGJLCCJMHV-UHFFFAOYSA-N
XLogP0.42
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(1,3-dioxan-2-yl)ethyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[2-(1,3-dioxan-2-yl)ethyl]pyrrolidin-3-yl]methanamine (CID 66473725) is [1-[2-(1,3-dioxan-2-yl)ethyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[2-(1,3-dioxan-2-yl)ethyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[2-(1,3-dioxan-2-yl)ethyl]pyrrolidin-3-yl]methanamine is NCC1CCN(CCC2OCCCO2)C1.
What is the InChIKey of [1-[2-(1,3-dioxan-2-yl)ethyl]pyrrolidin-3-yl]methanamine?
The InChIKey is LCGPHGJLCCJMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c12-8-10-2-4-13(9-10)5-3-11-14-6-1-7-15-11/h10-11H,1-9,12H2.
What are the key properties of [1-[2-(1,3-dioxan-2-yl)ethyl]pyrrolidin-3-yl]methanamine?
[1-[2-(1,3-dioxan-2-yl)ethyl]pyrrolidin-3-yl]methanamine has a molecular weight of 214.31 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(1,3-dioxan-2-yl)ethyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 66473725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).