1-(1,3-dioxan-4-yl)-N-[(4-methylmorpholin-2-yl)methyl]methanamine

C11H22N2O3 — CID 78997766

IUPAC1-(1,3-dioxan-4-yl)-N-[(4-methylmorpholin-2-yl)methyl]methanamine
SMILESCN1CCOC(CNCC2CCOCO2)C1
InChIInChI=1S/C11H22N2O3/c1-13-3-5-15-11(8-13)7-12-6-10-2-4-14-9-16-10/h10-12H,2-9H2,1H3
InChIKeyWUCMQTMBONIQTC-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.33
Rot. Bonds4

About 1-(1,3-dioxan-4-yl)-N-[(4-methylmorpholin-2-yl)methyl]methanamine

1-(1,3-dioxan-4-yl)-N-[(4-methylmorpholin-2-yl)methyl]methanamine (PubChem CID 78997766) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(1,3-dioxan-4-yl)-N-[(4-methylmorpholin-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1,3-dioxan-4-yl)-N-[(4-methylmorpholin-2-yl)methyl]methanamine
PubChem CID78997766
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name1-(1,3-dioxan-4-yl)-N-[(4-methylmorpholin-2-yl)methyl]methanamine
SMILESCN1CCOC(CNCC2CCOCO2)C1
InChIInChI=1S/C11H22N2O3/c1-13-3-5-15-11(8-13)7-12-6-10-2-4-14-9-16-10/h10-12H,2-9H2,1H3
InChIKeyWUCMQTMBONIQTC-UHFFFAOYSA-N
XLogP-0.33
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxan-4-yl)-N-[(4-methylmorpholin-2-yl)methyl]methanamine?
The IUPAC name of 1-(1,3-dioxan-4-yl)-N-[(4-methylmorpholin-2-yl)methyl]methanamine (CID 78997766) is 1-(1,3-dioxan-4-yl)-N-[(4-methylmorpholin-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(1,3-dioxan-4-yl)-N-[(4-methylmorpholin-2-yl)methyl]methanamine?
The canonical SMILES for 1-(1,3-dioxan-4-yl)-N-[(4-methylmorpholin-2-yl)methyl]methanamine is CN1CCOC(CNCC2CCOCO2)C1.
What is the InChIKey of 1-(1,3-dioxan-4-yl)-N-[(4-methylmorpholin-2-yl)methyl]methanamine?
The InChIKey is WUCMQTMBONIQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-13-3-5-15-11(8-13)7-12-6-10-2-4-14-9-16-10/h10-12H,2-9H2,1H3.
What are the key properties of 1-(1,3-dioxan-4-yl)-N-[(4-methylmorpholin-2-yl)methyl]methanamine?
1-(1,3-dioxan-4-yl)-N-[(4-methylmorpholin-2-yl)methyl]methanamine has a molecular weight of 230.31 g/mol, XLogP of -0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxan-4-yl)-N-[(4-methylmorpholin-2-yl)methyl]methanamine is sourced from PubChem (CID 78997766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).