1-[1-(1,3-dioxan-4-ylmethyl)pyrrolidin-3-yl]-N-methylmethanamine

C11H22N2O2 — CID 63263852

IUPAC1-[1-(1,3-dioxan-4-ylmethyl)pyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCN(CC2CCOCO2)C1
InChIInChI=1S/C11H22N2O2/c1-12-6-10-2-4-13(7-10)8-11-3-5-14-9-15-11/h10-12H,2-9H2,1H3
InChIKeyFTRLWQZRPSBWTQ-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.29
Rot. Bonds4

About 1-[1-(1,3-dioxan-4-ylmethyl)pyrrolidin-3-yl]-N-methylmethanamine

1-[1-(1,3-dioxan-4-ylmethyl)pyrrolidin-3-yl]-N-methylmethanamine (PubChem CID 63263852) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-[1-(1,3-dioxan-4-ylmethyl)pyrrolidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(1,3-dioxan-4-ylmethyl)pyrrolidin-3-yl]-N-methylmethanamine
PubChem CID63263852
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-[1-(1,3-dioxan-4-ylmethyl)pyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCN(CC2CCOCO2)C1
InChIInChI=1S/C11H22N2O2/c1-12-6-10-2-4-13(7-10)8-11-3-5-14-9-15-11/h10-12H,2-9H2,1H3
InChIKeyFTRLWQZRPSBWTQ-UHFFFAOYSA-N
XLogP0.29
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 ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-dioxan-4-ylmethyl)pyrrolidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(1,3-dioxan-4-ylmethyl)pyrrolidin-3-yl]-N-methylmethanamine (CID 63263852) is 1-[1-(1,3-dioxan-4-ylmethyl)pyrrolidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(1,3-dioxan-4-ylmethyl)pyrrolidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(1,3-dioxan-4-ylmethyl)pyrrolidin-3-yl]-N-methylmethanamine is CNCC1CCN(CC2CCOCO2)C1.
What is the InChIKey of 1-[1-(1,3-dioxan-4-ylmethyl)pyrrolidin-3-yl]-N-methylmethanamine?
The InChIKey is FTRLWQZRPSBWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-12-6-10-2-4-13(7-10)8-11-3-5-14-9-15-11/h10-12H,2-9H2,1H3.
What are the key properties of 1-[1-(1,3-dioxan-4-ylmethyl)pyrrolidin-3-yl]-N-methylmethanamine?
1-[1-(1,3-dioxan-4-ylmethyl)pyrrolidin-3-yl]-N-methylmethanamine has a molecular weight of 214.31 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,3-dioxan-4-ylmethyl)pyrrolidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 63263852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).