N,3-dimethyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]butan-1-amine

C13H24N2O — CID 62462555

IUPACN,3-dimethyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]butan-1-amine
SMILESCNCc1occc1CN(C)CCC(C)C
InChIInChI=1S/C13H24N2O/c1-11(2)5-7-15(4)10-12-6-8-16-13(12)9-14-3/h6,8,11,14H,5,7,9-10H2,1-4H3
InChIKeyPTFCNRCLCFGBRH-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.48
Rot. Bonds7

About N,3-dimethyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]butan-1-amine

N,3-dimethyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]butan-1-amine (PubChem CID 62462555) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N,3-dimethyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]butan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]butan-1-amine
PubChem CID62462555
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN,3-dimethyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]butan-1-amine
SMILESCNCc1occc1CN(C)CCC(C)C
InChIInChI=1S/C13H24N2O/c1-11(2)5-7-15(4)10-12-6-8-16-13(12)9-14-3/h6,8,11,14H,5,7,9-10H2,1-4H3
InChIKeyPTFCNRCLCFGBRH-UHFFFAOYSA-N
XLogP2.48
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-methyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]ethanamine
CID 62428704
N-methyl-1-[3-[[methyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]methanamine
CID 62461527
N-methyl-1-[3-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]methanamine
CID 62421902
2-methyl-N-[[3-[[methyl(2-methylsulfanylethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 112665532
N-methyl-1-[3-(4-methylpentoxymethyl)furan-2-yl]methanamine
CID 62456984
N-[[2-(methylaminomethyl)furan-3-yl]methyl]-N-propan-2-ylpentan-1-amine
CID 55072134
N-methyl-1-[3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]furan-2-yl]methanamine
CID 62413219
N-methyl-1-[2-(4-methylpentoxymethyl)furan-3-yl]methanamine
CID 62455304
N-methyl-1-[3-[2-(2-methylpropoxy)ethoxymethyl]furan-2-yl]methanamine
CID 106449861
N'-[[2-(ethylaminomethyl)furan-3-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62426635
N-methyl-1-[3-(propan-2-yloxymethyl)furan-2-yl]methanamine
CID 62457855
N,3-dimethyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]butan-2-amine
CID 62431751

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]butan-1-amine?
The IUPAC name of N,3-dimethyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]butan-1-amine (CID 62462555) is N,3-dimethyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]butan-1-amine.
What is the SMILES notation for N,3-dimethyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]butan-1-amine?
The canonical SMILES for N,3-dimethyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]butan-1-amine is CNCc1occc1CN(C)CCC(C)C.
What is the InChIKey of N,3-dimethyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]butan-1-amine?
The InChIKey is PTFCNRCLCFGBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-11(2)5-7-15(4)10-12-6-8-16-13(12)9-14-3/h6,8,11,14H,5,7,9-10H2,1-4H3.
What are the key properties of N,3-dimethyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]butan-1-amine?
N,3-dimethyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]butan-1-amine has a molecular weight of 224.35 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]butan-1-amine is sourced from PubChem (CID 62462555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).