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

C10H20N2O2 — CID 62063951

IUPAC[1-(1,3-dioxan-4-ylmethyl)pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(CC2CCOCO2)C1
InChIInChI=1S/C10H20N2O2/c11-5-9-1-3-12(6-9)7-10-2-4-13-8-14-10/h9-10H,1-8,11H2
InChIKeyGGIDJBOQDRMPEF-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.03
Rot. Bonds3

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

[1-(1,3-dioxan-4-ylmethyl)pyrrolidin-3-yl]methanamine (PubChem CID 62063951) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is [1-(1,3-dioxan-4-ylmethyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(1,3-dioxan-4-ylmethyl)pyrrolidin-3-yl]methanamine
PubChem CID62063951
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name[1-(1,3-dioxan-4-ylmethyl)pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(CC2CCOCO2)C1
InChIInChI=1S/C10H20N2O2/c11-5-9-1-3-12(6-9)7-10-2-4-13-8-14-10/h9-10H,1-8,11H2
InChIKeyGGIDJBOQDRMPEF-UHFFFAOYSA-N
XLogP0.03
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(1,3-dioxan-4-ylmethyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(1,3-dioxan-4-ylmethyl)pyrrolidin-3-yl]methanamine (CID 62063951) is [1-(1,3-dioxan-4-ylmethyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(1,3-dioxan-4-ylmethyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(1,3-dioxan-4-ylmethyl)pyrrolidin-3-yl]methanamine is NCC1CCN(CC2CCOCO2)C1.
What is the InChIKey of [1-(1,3-dioxan-4-ylmethyl)pyrrolidin-3-yl]methanamine?
The InChIKey is GGIDJBOQDRMPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c11-5-9-1-3-12(6-9)7-10-2-4-13-8-14-10/h9-10H,1-8,11H2.
What are the key properties of [1-(1,3-dioxan-4-ylmethyl)pyrrolidin-3-yl]methanamine?
[1-(1,3-dioxan-4-ylmethyl)pyrrolidin-3-yl]methanamine has a molecular weight of 200.28 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,3-dioxan-4-ylmethyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 62063951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).