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

C13H24N2O — CID 62431751

IUPACN,3-dimethyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]butan-2-amine
SMILESCNCc1ccoc1CN(C)C(C)C(C)C
InChIInChI=1S/C13H24N2O/c1-10(2)11(3)15(5)9-13-12(8-14-4)6-7-16-13/h6-7,10-11,14H,8-9H2,1-5H3
InChIKeyICKSZZIBPAEEPO-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.48
Rot. Bonds6

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

N,3-dimethyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]butan-2-amine (PubChem CID 62431751) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N,3-dimethyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]butan-2-amine.

Molecular Properties

Compound NameN,3-dimethyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]butan-2-amine
PubChem CID62431751
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN,3-dimethyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]butan-2-amine
SMILESCNCc1ccoc1CN(C)C(C)C(C)C
InChIInChI=1S/C13H24N2O/c1-10(2)11(3)15(5)9-13-12(8-14-4)6-7-16-13/h6-7,10-11,14H,8-9H2,1-5H3
InChIKeyICKSZZIBPAEEPO-UHFFFAOYSA-N
XLogP2.48
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

N,3-dimethyl-N-[[3-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-2-amine
CID 62432117
N-ethyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]propan-2-amine
CID 62418170
4-ethyl-N-methyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]aniline
CID 62434588
N-[[3-(aminomethyl)furan-2-yl]methyl]-N-methylbutan-2-amine
CID 62419080
N,3-dimethyl-N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]butan-2-amine
CID 62433002
N,2,4-trimethyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]aniline
CID 62436908
N,3-dimethyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]butan-1-amine
CID 62462555
N-methyl-1-[3-(propan-2-yloxymethyl)furan-2-yl]methanamine
CID 62457855
N-methyl-N-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]butan-2-amine
CID 62419285
N,N-dimethyl-2-[[3-(methylaminomethyl)furan-2-yl]methoxy]ethanamine
CID 62458407
N-[[2-[[1-cyclopropylethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 62432136
1-[2-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]furan-3-yl]-N-methylmethanamine
CID 62462608

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]butan-2-amine?
The IUPAC name of N,3-dimethyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]butan-2-amine (CID 62431751) is N,3-dimethyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]butan-2-amine.
What is the SMILES notation for N,3-dimethyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]butan-2-amine?
The canonical SMILES for N,3-dimethyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]butan-2-amine is CNCc1ccoc1CN(C)C(C)C(C)C.
What is the InChIKey of N,3-dimethyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]butan-2-amine?
The InChIKey is ICKSZZIBPAEEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-10(2)11(3)15(5)9-13-12(8-14-4)6-7-16-13/h6-7,10-11,14H,8-9H2,1-5H3.
What are the key properties of N,3-dimethyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]butan-2-amine?
N,3-dimethyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]butan-2-amine has a molecular weight of 224.35 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]butan-2-amine is sourced from PubChem (CID 62431751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).