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

C16H30N2O — CID 62420329

IUPACN-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N-ethylbutan-2-amine
SMILESCCC(C)N(CC)Cc1ccoc1CNC(C)(C)C
InChIInChI=1S/C16H30N2O/c1-7-13(3)18(8-2)12-14-9-10-19-15(14)11-17-16(4,5)6/h9-10,13,17H,7-8,11-12H2,1-6H3
InChIKeyFRPKKSZBZVJXHK-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.79
Rot. Bonds7

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

N-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N-ethylbutan-2-amine (PubChem CID 62420329) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is N-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N-ethylbutan-2-amine.

Molecular Properties

Compound NameN-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N-ethylbutan-2-amine
PubChem CID62420329
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC NameN-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N-ethylbutan-2-amine
SMILESCCC(C)N(CC)Cc1ccoc1CNC(C)(C)C
InChIInChI=1S/C16H30N2O/c1-7-13(3)18(8-2)12-14-9-10-19-15(14)11-17-16(4,5)6/h9-10,13,17H,7-8,11-12H2,1-6H3
InChIKeyFRPKKSZBZVJXHK-UHFFFAOYSA-N
XLogP3.79
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[3-[[propan-2-yl(propyl)amino]methyl]furan-2-yl]methyl]propan-2-amine
CID 55075072
N-[[3-[[ethyl(methyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 62419327
N-[[3-[[ethyl(propyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 62420289
N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N-ethylbutan-2-amine
CID 62422752
N'-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 62437066
N-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N,4-dimethylaniline
CID 62431053
N-[[3-[[bis(2-methoxyethyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 62462675
N-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N-methylcyclopentanamine
CID 62417012
N-[[2-(aminomethyl)furan-3-yl]methyl]-N-ethylpropan-2-amine
CID 62419344
N-methyl-N-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]butan-2-amine
CID 62419285
N-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N-methyloxolan-3-amine
CID 82754170
2-methyl-N-[[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine
CID 62425932

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N-ethylbutan-2-amine?
The IUPAC name of N-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N-ethylbutan-2-amine (CID 62420329) is N-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N-ethylbutan-2-amine.
What is the SMILES notation for N-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N-ethylbutan-2-amine?
The canonical SMILES for N-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N-ethylbutan-2-amine is CCC(C)N(CC)Cc1ccoc1CNC(C)(C)C.
What is the InChIKey of N-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N-ethylbutan-2-amine?
The InChIKey is FRPKKSZBZVJXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-7-13(3)18(8-2)12-14-9-10-19-15(14)11-17-16(4,5)6/h9-10,13,17H,7-8,11-12H2,1-6H3.
What are the key properties of N-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N-ethylbutan-2-amine?
N-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N-ethylbutan-2-amine has a molecular weight of 266.43 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N-ethylbutan-2-amine is sourced from PubChem (CID 62420329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).