N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine

C17H32N2O — CID 62426427

IUPACN-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
SMILESCCNCc1cc(CN(CC(C)C)CC(C)C)oc1C
InChIInChI=1S/C17H32N2O/c1-7-18-9-16-8-17(20-15(16)6)12-19(10-13(2)3)11-14(4)5/h8,13-14,18H,7,9-12H2,1-6H3
InChIKeyXPMRRAVNCHQFQD-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.81
Rot. Bonds9

About N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine

N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine (PubChem CID 62426427) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine.

Molecular Properties

Compound NameN-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
PubChem CID62426427
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC NameN-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
SMILESCCNCc1cc(CN(CC(C)C)CC(C)C)oc1C
InChIInChI=1S/C17H32N2O/c1-7-18-9-16-8-17(20-15(16)6)12-19(10-13(2)3)11-14(4)5/h8,13-14,18H,7,9-12H2,1-6H3
InChIKeyXPMRRAVNCHQFQD-UHFFFAOYSA-N
XLogP3.81
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62418328
2-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]-N-(2-methylpropyl)propan-1-amine
CID 62428024
N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-N-methylpropan-1-amine
CID 62417372
N-[[2-methyl-5-(3-methylbutoxymethyl)furan-3-yl]methyl]ethanamine
CID 55077940
2-N-ethyl-2-N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191733
N-[[2-methyl-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]furan-3-yl]methyl]ethanamine
CID 62419219
N,N-dimethyl-N'-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]-N'-propylethane-1,2-diamine
CID 62436880
N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 62427668
N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-N-(2-methoxyethyl)prop-2-en-1-amine
CID 103340457
N-[[5-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-methylfuran-3-yl]methyl]ethanamine
CID 62411119
N-(2-methoxyethyl)-2-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]propan-1-amine
CID 62429791
2-ethoxy-N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-N-methylethanamine
CID 81068757

Frequently Asked Questions

What is the IUPAC name of N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine?
The IUPAC name of N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine (CID 62426427) is N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine.
What is the SMILES notation for N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine?
The canonical SMILES for N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine is CCNCc1cc(CN(CC(C)C)CC(C)C)oc1C.
What is the InChIKey of N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine?
The InChIKey is XPMRRAVNCHQFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-7-18-9-16-8-17(20-15(16)6)12-19(10-13(2)3)11-14(4)5/h8,13-14,18H,7,9-12H2,1-6H3.
What are the key properties of N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine?
N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine has a molecular weight of 280.46 g/mol, XLogP of 3.81, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine is sourced from PubChem (CID 62426427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).