N-(1,3-dioxan-4-ylmethyl)-N-ethylpyrrolidin-3-amine

C11H22N2O2 — CID 63299983

IUPACN-(1,3-dioxan-4-ylmethyl)-N-ethylpyrrolidin-3-amine
SMILESCCN(CC1CCOCO1)C1CCNC1
InChIInChI=1S/C11H22N2O2/c1-2-13(10-3-5-12-7-10)8-11-4-6-14-9-15-11/h10-12H,2-9H2,1H3
InChIKeyOARLIOMXCNKOJT-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.43
Rot. Bonds4

About N-(1,3-dioxan-4-ylmethyl)-N-ethylpyrrolidin-3-amine

N-(1,3-dioxan-4-ylmethyl)-N-ethylpyrrolidin-3-amine (PubChem CID 63299983) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-(1,3-dioxan-4-ylmethyl)-N-ethylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(1,3-dioxan-4-ylmethyl)-N-ethylpyrrolidin-3-amine
PubChem CID63299983
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN-(1,3-dioxan-4-ylmethyl)-N-ethylpyrrolidin-3-amine
SMILESCCN(CC1CCOCO1)C1CCNC1
InChIInChI=1S/C11H22N2O2/c1-2-13(10-3-5-12-7-10)8-11-4-6-14-9-15-11/h10-12H,2-9H2,1H3
InChIKeyOARLIOMXCNKOJT-UHFFFAOYSA-N
XLogP0.43
TPSA33.73 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 ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxan-4-ylmethyl)-N-ethylpyrrolidin-3-amine?
The IUPAC name of N-(1,3-dioxan-4-ylmethyl)-N-ethylpyrrolidin-3-amine (CID 63299983) is N-(1,3-dioxan-4-ylmethyl)-N-ethylpyrrolidin-3-amine.
What is the SMILES notation for N-(1,3-dioxan-4-ylmethyl)-N-ethylpyrrolidin-3-amine?
The canonical SMILES for N-(1,3-dioxan-4-ylmethyl)-N-ethylpyrrolidin-3-amine is CCN(CC1CCOCO1)C1CCNC1.
What is the InChIKey of N-(1,3-dioxan-4-ylmethyl)-N-ethylpyrrolidin-3-amine?
The InChIKey is OARLIOMXCNKOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-2-13(10-3-5-12-7-10)8-11-4-6-14-9-15-11/h10-12H,2-9H2,1H3.
What are the key properties of N-(1,3-dioxan-4-ylmethyl)-N-ethylpyrrolidin-3-amine?
N-(1,3-dioxan-4-ylmethyl)-N-ethylpyrrolidin-3-amine has a molecular weight of 214.31 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxan-4-ylmethyl)-N-ethylpyrrolidin-3-amine is sourced from PubChem (CID 63299983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).