N-methyl-4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]oxolan-3-amine

C13H22N2O2 — CID 66245971

IUPACN-methyl-4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]oxolan-3-amine
SMILESCNC1COCC1CN(C)Cc1ccoc1C
InChIInChI=1S/C13H22N2O2/c1-10-11(4-5-17-10)6-15(3)7-12-8-16-9-13(12)14-2/h4-5,12-14H,6-9H2,1-3H3
InChIKeyIJZRNZLHCDRQFI-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.25
Rot. Bonds5

About N-methyl-4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]oxolan-3-amine

N-methyl-4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]oxolan-3-amine (PubChem CID 66245971) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-methyl-4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]oxolan-3-amine.

Molecular Properties

Compound NameN-methyl-4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]oxolan-3-amine
PubChem CID66245971
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-methyl-4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]oxolan-3-amine
SMILESCNC1COCC1CN(C)Cc1ccoc1C
InChIInChI=1S/C13H22N2O2/c1-10-11(4-5-17-10)6-15(3)7-12-8-16-9-13(12)14-2/h4-5,12-14H,6-9H2,1-3H3
InChIKeyIJZRNZLHCDRQFI-UHFFFAOYSA-N
XLogP1.25
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]oxolan-3-amine?
The IUPAC name of N-methyl-4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]oxolan-3-amine (CID 66245971) is N-methyl-4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]oxolan-3-amine.
What is the SMILES notation for N-methyl-4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]oxolan-3-amine?
The canonical SMILES for N-methyl-4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]oxolan-3-amine is CNC1COCC1CN(C)Cc1ccoc1C.
What is the InChIKey of N-methyl-4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]oxolan-3-amine?
The InChIKey is IJZRNZLHCDRQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-10-11(4-5-17-10)6-15(3)7-12-8-16-9-13(12)14-2/h4-5,12-14H,6-9H2,1-3H3.
What are the key properties of N-methyl-4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]oxolan-3-amine?
N-methyl-4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]oxolan-3-amine has a molecular weight of 238.33 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]oxolan-3-amine is sourced from PubChem (CID 66245971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).