N-methyl-N-[[5-(methylaminomethyl)furan-2-yl]methyl]-1-(oxan-4-yl)methanamine

C14H24N2O2 — CID 55226838

IUPACN-methyl-N-[[5-(methylaminomethyl)furan-2-yl]methyl]-1-(oxan-4-yl)methanamine
SMILESCNCc1ccc(CN(C)CC2CCOCC2)o1
InChIInChI=1S/C14H24N2O2/c1-15-9-13-3-4-14(18-13)11-16(2)10-12-5-7-17-8-6-12/h3-4,12,15H,5-11H2,1-2H3
InChIKeyPMYLHWSFJCOZLK-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.86
Rot. Bonds6

About N-methyl-N-[[5-(methylaminomethyl)furan-2-yl]methyl]-1-(oxan-4-yl)methanamine

N-methyl-N-[[5-(methylaminomethyl)furan-2-yl]methyl]-1-(oxan-4-yl)methanamine (PubChem CID 55226838) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-methyl-N-[[5-(methylaminomethyl)furan-2-yl]methyl]-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-N-[[5-(methylaminomethyl)furan-2-yl]methyl]-1-(oxan-4-yl)methanamine
PubChem CID55226838
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-methyl-N-[[5-(methylaminomethyl)furan-2-yl]methyl]-1-(oxan-4-yl)methanamine
SMILESCNCc1ccc(CN(C)CC2CCOCC2)o1
InChIInChI=1S/C14H24N2O2/c1-15-9-13-3-4-14(18-13)11-16(2)10-12-5-7-17-8-6-12/h3-4,12,15H,5-11H2,1-2H3
InChIKeyPMYLHWSFJCOZLK-UHFFFAOYSA-N
XLogP1.86
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]-1-(oxan-4-yl)methanamine
CID 55227611
N-methyl-2-[4-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]ethanamine
CID 105347759
N-methyl-N-[[5-(methylaminomethyl)furan-2-yl]methyl]cyclopentanamine
CID 62418314
1-cyclopropyl-N-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]methanamine
CID 62427462
N-[[3-methyl-5-[[methyl(oxan-4-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 63707162
2-[[methyl(oxan-4-ylmethyl)amino]methyl]aniline
CID 62385324
N-[[5-[[methyl(oxan-4-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 63706151
N-[[5-[[methyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 62435538
4-chloro-2-[[methyl(oxan-4-ylmethyl)amino]methyl]aniline
CID 79582408
N-methyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]pyrimidin-2-amine
CID 112751274
N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 63705833
N-[[5-[[methyl(oxan-2-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62429059

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[5-(methylaminomethyl)furan-2-yl]methyl]-1-(oxan-4-yl)methanamine?
The IUPAC name of N-methyl-N-[[5-(methylaminomethyl)furan-2-yl]methyl]-1-(oxan-4-yl)methanamine (CID 55226838) is N-methyl-N-[[5-(methylaminomethyl)furan-2-yl]methyl]-1-(oxan-4-yl)methanamine.
What is the SMILES notation for N-methyl-N-[[5-(methylaminomethyl)furan-2-yl]methyl]-1-(oxan-4-yl)methanamine?
The canonical SMILES for N-methyl-N-[[5-(methylaminomethyl)furan-2-yl]methyl]-1-(oxan-4-yl)methanamine is CNCc1ccc(CN(C)CC2CCOCC2)o1.
What is the InChIKey of N-methyl-N-[[5-(methylaminomethyl)furan-2-yl]methyl]-1-(oxan-4-yl)methanamine?
The InChIKey is PMYLHWSFJCOZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-15-9-13-3-4-14(18-13)11-16(2)10-12-5-7-17-8-6-12/h3-4,12,15H,5-11H2,1-2H3.
What are the key properties of N-methyl-N-[[5-(methylaminomethyl)furan-2-yl]methyl]-1-(oxan-4-yl)methanamine?
N-methyl-N-[[5-(methylaminomethyl)furan-2-yl]methyl]-1-(oxan-4-yl)methanamine has a molecular weight of 252.36 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[5-(methylaminomethyl)furan-2-yl]methyl]-1-(oxan-4-yl)methanamine is sourced from PubChem (CID 55226838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).