N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N-ethylbutan-2-amine

C17H32N2O — CID 62422752

IUPACN-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N-ethylbutan-2-amine
SMILESCCC(C)N(CC)Cc1cc(CNC(C)(C)C)oc1C
InChIInChI=1S/C17H32N2O/c1-8-13(3)19(9-2)12-15-10-16(20-14(15)4)11-18-17(5,6)7/h10,13,18H,8-9,11-12H2,1-7H3
InChIKeyLGYDBSMNBKZQLR-UHFFFAOYSA-N
MW280.46 g/mol
LogP4.10
Rot. Bonds7

About N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N-ethylbutan-2-amine

N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N-ethylbutan-2-amine (PubChem CID 62422752) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N-ethylbutan-2-amine.

Molecular Properties

Compound NameN-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N-ethylbutan-2-amine
PubChem CID62422752
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC NameN-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N-ethylbutan-2-amine
SMILESCCC(C)N(CC)Cc1cc(CNC(C)(C)C)oc1C
InChIInChI=1S/C17H32N2O/c1-8-13(3)19(9-2)12-15-10-16(20-14(15)4)11-18-17(5,6)7/h10,13,18H,8-9,11-12H2,1-7H3
InChIKeyLGYDBSMNBKZQLR-UHFFFAOYSA-N
XLogP4.10
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N,4-dimethylpentan-2-amine
CID 62463726
2-methyl-N-[[2-methyl-5-[[propan-2-yl(propyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 62420500
N-[[4-[[1-cyclopropylethyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62432854
N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine
CID 62419196
N-[[4-[[ethyl(2-methoxyethyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62435949
2-N-ethyl-2-N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191733
N-[[4-[[2-ethoxyethyl(ethyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 63691429
N-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N-ethylbutan-2-amine
CID 62420329
N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 107402017
N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N-methylcyclopentanamine
CID 62419292
N-[[4-[(4-ethylpiperazin-1-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62417443
2-methyl-N-[[2-methyl-5-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 115987892

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N-ethylbutan-2-amine?
The IUPAC name of N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N-ethylbutan-2-amine (CID 62422752) is N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N-ethylbutan-2-amine.
What is the SMILES notation for N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N-ethylbutan-2-amine?
The canonical SMILES for N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N-ethylbutan-2-amine is CCC(C)N(CC)Cc1cc(CNC(C)(C)C)oc1C.
What is the InChIKey of N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N-ethylbutan-2-amine?
The InChIKey is LGYDBSMNBKZQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-8-13(3)19(9-2)12-15-10-16(20-14(15)4)11-18-17(5,6)7/h10,13,18H,8-9,11-12H2,1-7H3.
What are the key properties of N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N-ethylbutan-2-amine?
N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N-ethylbutan-2-amine has a molecular weight of 280.46 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N-ethylbutan-2-amine is sourced from PubChem (CID 62422752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).