N-[[5-(cyclopentyloxymethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine

C16H27NO2 — CID 62444441

IUPACN-[[5-(cyclopentyloxymethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(COC2CCCC2)oc1CNC(C)(C)C
InChIInChI=1S/C16H27NO2/c1-12-9-14(11-18-13-7-5-6-8-13)19-15(12)10-17-16(2,3)4/h9,13,17H,5-8,10-11H2,1-4H3
InChIKeyLGWBFMJDHFTPEM-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.94
Rot. Bonds5

About N-[[5-(cyclopentyloxymethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine

N-[[5-(cyclopentyloxymethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62444441) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[[5-(cyclopentyloxymethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-(cyclopentyloxymethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID62444441
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-[[5-(cyclopentyloxymethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(COC2CCCC2)oc1CNC(C)(C)C
InChIInChI=1S/C16H27NO2/c1-12-9-14(11-18-13-7-5-6-8-13)19-15(12)10-17-16(2,3)4/h9,13,17H,5-8,10-11H2,1-4H3
InChIKeyLGWBFMJDHFTPEM-UHFFFAOYSA-N
XLogP3.94
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(cyclohexyloxymethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62445953
N-[[5-(cyclohexyloxymethyl)-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62445952
N-[[5-(cyclohexyloxymethyl)-3-methylfuran-2-yl]methyl]propan-2-amine
CID 62445758
N-[[5-(cyclohexyloxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine
CID 62445373
N-[[5-(cycloheptyloxymethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 62459152
N-[[5-(cyclopentyloxymethyl)furan-3-yl]methyl]-2-methylpropan-2-amine
CID 62444439
N-[[5-[[cyclopentylmethyl(methyl)amino]methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 63657143
N-[2-[[5-[(tert-butylamino)methyl]-4-methylfuran-2-yl]methoxy]ethyl]-N-methylcyclopropanamine
CID 102740914
N-[[5-(2-butoxyethoxymethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62456393
N-[[3-(cyclopentyloxymethyl)furan-2-yl]methyl]-2-methylpropan-2-amine
CID 55072771
N-[[5-[(3,5-dimethylcyclohexyl)oxymethyl]-3-methylfuran-2-yl]methyl]propan-2-amine
CID 64730648
N-[[5-[3-(dimethylamino)propoxymethyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62460612

Frequently Asked Questions

What is the IUPAC name of N-[[5-(cyclopentyloxymethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-(cyclopentyloxymethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine (CID 62444441) is N-[[5-(cyclopentyloxymethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-(cyclopentyloxymethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-(cyclopentyloxymethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine is Cc1cc(COC2CCCC2)oc1CNC(C)(C)C.
What is the InChIKey of N-[[5-(cyclopentyloxymethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is LGWBFMJDHFTPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-12-9-14(11-18-13-7-5-6-8-13)19-15(12)10-17-16(2,3)4/h9,13,17H,5-8,10-11H2,1-4H3.
What are the key properties of N-[[5-(cyclopentyloxymethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine?
N-[[5-(cyclopentyloxymethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(cyclopentyloxymethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62444441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).