N-[[2-[[cyclobutylmethyl(ethyl)amino]methyl]furan-3-yl]methyl]-2-methylpropan-2-amine

C17H30N2O — CID 107402009

IUPACN-[[2-[[cyclobutylmethyl(ethyl)amino]methyl]furan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCCN(Cc1occc1CNC(C)(C)C)CC1CCC1
InChIInChI=1S/C17H30N2O/c1-5-19(12-14-7-6-8-14)13-16-15(9-10-20-16)11-18-17(2,3)4/h9-10,14,18H,5-8,11-13H2,1-4H3
InChIKeyCOZWSLOTUZLFRG-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.79
Rot. Bonds7

About N-[[2-[[cyclobutylmethyl(ethyl)amino]methyl]furan-3-yl]methyl]-2-methylpropan-2-amine

N-[[2-[[cyclobutylmethyl(ethyl)amino]methyl]furan-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 107402009) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[[2-[[cyclobutylmethyl(ethyl)amino]methyl]furan-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-[[cyclobutylmethyl(ethyl)amino]methyl]furan-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID107402009
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-[[2-[[cyclobutylmethyl(ethyl)amino]methyl]furan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCCN(Cc1occc1CNC(C)(C)C)CC1CCC1
InChIInChI=1S/C17H30N2O/c1-5-19(12-14-7-6-8-14)13-16-15(9-10-20-16)11-18-17(2,3)4/h9-10,14,18H,5-8,11-13H2,1-4H3
InChIKeyCOZWSLOTUZLFRG-UHFFFAOYSA-N
XLogP3.79
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-[[cyclobutylmethyl(ethyl)amino]methyl]furan-3-yl]methyl]-2-methylpropan-2-amine with MolForge

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Related Compounds

N-[[3-(aminomethyl)furan-2-yl]methyl]-N-(cyclobutylmethyl)ethanamine
CID 107401977
N-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-methylcyclopropanamine
CID 62417218
N-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-propylcyclopropanamine
CID 62421606
N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 107402017
N-[[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 63939704
N-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N-methylcyclopentanamine
CID 62417012
N-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 62427353
N-[[3-[[ethyl(propyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 62420289
N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)furan-3-yl]methyl]-2-methylpropan-2-amine
CID 115562284
N-[[2-[[cyclobutylmethyl(methyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62854572
N-[[2-[[ethyl(propyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62421778
N-[[3-[[ethyl(methyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 62419327

Frequently Asked Questions

What is the IUPAC name of N-[[2-[[cyclobutylmethyl(ethyl)amino]methyl]furan-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-[[cyclobutylmethyl(ethyl)amino]methyl]furan-3-yl]methyl]-2-methylpropan-2-amine (CID 107402009) is N-[[2-[[cyclobutylmethyl(ethyl)amino]methyl]furan-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-[[cyclobutylmethyl(ethyl)amino]methyl]furan-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-[[cyclobutylmethyl(ethyl)amino]methyl]furan-3-yl]methyl]-2-methylpropan-2-amine is CCN(Cc1occc1CNC(C)(C)C)CC1CCC1.
What is the InChIKey of N-[[2-[[cyclobutylmethyl(ethyl)amino]methyl]furan-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is COZWSLOTUZLFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-5-19(12-14-7-6-8-14)13-16-15(9-10-20-16)11-18-17(2,3)4/h9-10,14,18H,5-8,11-13H2,1-4H3.
What are the key properties of N-[[2-[[cyclobutylmethyl(ethyl)amino]methyl]furan-3-yl]methyl]-2-methylpropan-2-amine?
N-[[2-[[cyclobutylmethyl(ethyl)amino]methyl]furan-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 278.44 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-[[cyclobutylmethyl(ethyl)amino]methyl]furan-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107402009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).