N-methoxy-1-(oxan-4-yl)-N-[(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methyl]methanamine

C18H28N2O4 — CID 136574587

IUPACN-methoxy-1-(oxan-4-yl)-N-[(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methyl]methanamine
SMILESCON(Cc1cnc(C)c2c1COC(C)(C)O2)CC1CCOCC1
InChIInChI=1S/C18H28N2O4/c1-13-17-16(12-23-18(2,3)24-17)15(9-19-13)11-20(21-4)10-14-5-7-22-8-6-14/h9,14H,5-8,10-12H2,1-4H3
InChIKeyQXJDUICDEJOXGA-UHFFFAOYSA-N
MW336.43 g/mol
LogP2.83
Rot. Bonds5

About N-methoxy-1-(oxan-4-yl)-N-[(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methyl]methanamine

N-methoxy-1-(oxan-4-yl)-N-[(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methyl]methanamine (PubChem CID 136574587) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is N-methoxy-1-(oxan-4-yl)-N-[(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methoxy-1-(oxan-4-yl)-N-[(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methyl]methanamine
PubChem CID136574587
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC NameN-methoxy-1-(oxan-4-yl)-N-[(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methyl]methanamine
SMILESCON(Cc1cnc(C)c2c1COC(C)(C)O2)CC1CCOCC1
InChIInChI=1S/C18H28N2O4/c1-13-17-16(12-23-18(2,3)24-17)15(9-19-13)11-20(21-4)10-14-5-7-22-8-6-14/h9,14H,5-8,10-12H2,1-4H3
InChIKeyQXJDUICDEJOXGA-UHFFFAOYSA-N
XLogP2.83
TPSA53.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-(oxan-4-yl)-N-[(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methyl]methanamine?
The IUPAC name of N-methoxy-1-(oxan-4-yl)-N-[(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methyl]methanamine (CID 136574587) is N-methoxy-1-(oxan-4-yl)-N-[(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methyl]methanamine.
What is the SMILES notation for N-methoxy-1-(oxan-4-yl)-N-[(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methyl]methanamine?
The canonical SMILES for N-methoxy-1-(oxan-4-yl)-N-[(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methyl]methanamine is CON(Cc1cnc(C)c2c1COC(C)(C)O2)CC1CCOCC1.
What is the InChIKey of N-methoxy-1-(oxan-4-yl)-N-[(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methyl]methanamine?
The InChIKey is QXJDUICDEJOXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-13-17-16(12-23-18(2,3)24-17)15(9-19-13)11-20(21-4)10-14-5-7-22-8-6-14/h9,14H,5-8,10-12H2,1-4H3.
What are the key properties of N-methoxy-1-(oxan-4-yl)-N-[(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methyl]methanamine?
N-methoxy-1-(oxan-4-yl)-N-[(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methyl]methanamine has a molecular weight of 336.43 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-(oxan-4-yl)-N-[(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methyl]methanamine is sourced from PubChem (CID 136574587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).