N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine

C18H32N2O — CID 107402017

IUPACN-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
SMILESCCN(Cc1cc(CNC(C)(C)C)oc1C)CC1CCC1
InChIInChI=1S/C18H32N2O/c1-6-20(12-15-8-7-9-15)13-16-10-17(21-14(16)2)11-19-18(3,4)5/h10,15,19H,6-9,11-13H2,1-5H3
InChIKeyXNURJTOOENXEMJ-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.10
Rot. Bonds7

About N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine

N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 107402017) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID107402017
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
SMILESCCN(Cc1cc(CNC(C)(C)C)oc1C)CC1CCC1
InChIInChI=1S/C18H32N2O/c1-6-20(12-15-8-7-9-15)13-16-10-17(21-14(16)2)11-19-18(3,4)5/h10,15,19H,6-9,11-13H2,1-5H3
InChIKeyXNURJTOOENXEMJ-UHFFFAOYSA-N
XLogP4.10
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine with MolForge

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Related Compounds

N-[[5-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylfuran-3-yl]methyl]propan-2-amine
CID 107402081
N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N-methylcyclopentanamine
CID 62419292
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
N-[[4-[[2-ethoxyethyl(ethyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 63691429
N-[[2-[[cyclobutylmethyl(ethyl)amino]methyl]furan-3-yl]methyl]-2-methylpropan-2-amine
CID 107402009
N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N-ethylbutan-2-amine
CID 62422752
N-[[4-(cyclopentylmethoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 66324001
N-[[4-(diethylaminomethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62439401
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,4-dimethylpentan-2-amine
CID 62463726
5-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylfuran-3-carbohydrazide
CID 107402375

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine (CID 107402017) is N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine is CCN(Cc1cc(CNC(C)(C)C)oc1C)CC1CCC1.
What is the InChIKey of N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is XNURJTOOENXEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-6-20(12-15-8-7-9-15)13-16-10-17(21-14(16)2)11-19-18(3,4)5/h10,15,19H,6-9,11-13H2,1-5H3.
What are the key properties of N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine?
N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 292.47 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-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107402017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).