N-[[5-(cyclohexyloxymethyl)-3-methylfuran-2-yl]methyl]propan-2-amine

C16H27NO2 — CID 62445758

IUPACN-[[5-(cyclohexyloxymethyl)-3-methylfuran-2-yl]methyl]propan-2-amine
SMILESCc1cc(COC2CCCCC2)oc1CNC(C)C
InChIInChI=1S/C16H27NO2/c1-12(2)17-10-16-13(3)9-15(19-16)11-18-14-7-5-4-6-8-14/h9,12,14,17H,4-8,10-11H2,1-3H3
InChIKeyOCQLJFBRSOYJQL-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.94
Rot. Bonds6

About N-[[5-(cyclohexyloxymethyl)-3-methylfuran-2-yl]methyl]propan-2-amine

N-[[5-(cyclohexyloxymethyl)-3-methylfuran-2-yl]methyl]propan-2-amine (PubChem CID 62445758) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[[5-(cyclohexyloxymethyl)-3-methylfuran-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(cyclohexyloxymethyl)-3-methylfuran-2-yl]methyl]propan-2-amine
PubChem CID62445758
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-[[5-(cyclohexyloxymethyl)-3-methylfuran-2-yl]methyl]propan-2-amine
SMILESCc1cc(COC2CCCCC2)oc1CNC(C)C
InChIInChI=1S/C16H27NO2/c1-12(2)17-10-16-13(3)9-15(19-16)11-18-14-7-5-4-6-8-14/h9,12,14,17H,4-8,10-11H2,1-3H3
InChIKeyOCQLJFBRSOYJQL-UHFFFAOYSA-N
XLogP3.94
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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-(cycloheptyloxymethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 62459152
N-[[5-(cyclohexyloxymethyl)-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62445952
N-[[5-[(3,5-dimethylcyclohexyl)oxymethyl]-3-methylfuran-2-yl]methyl]propan-2-amine
CID 64730648
N-[[5-(cyclohexyloxymethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62445953
N-[[5-(cyclopentyloxymethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62444441
N-[[3-methyl-5-(oxan-4-ylmethoxymethyl)furan-2-yl]methyl]propan-2-amine
CID 62470359
N-[[3-methyl-5-[2-(2-methylpropoxy)ethoxymethyl]furan-2-yl]methyl]propan-2-amine
CID 106450107
N-ethyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cyclohexanamine
CID 62425039
N-[[3-methyl-5-[(4-methylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine
CID 62449443
N-[[3-methyl-5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 62439197
N-[[5-[(4-bromophenyl)methoxymethyl]-3-methylfuran-2-yl]methyl]propan-2-amine
CID 82808168
N-[[5-[[bis(2-methoxyethyl)amino]methyl]-3-methylfuran-2-yl]methyl]propan-2-amine
CID 62462848

Frequently Asked Questions

What is the IUPAC name of N-[[5-(cyclohexyloxymethyl)-3-methylfuran-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(cyclohexyloxymethyl)-3-methylfuran-2-yl]methyl]propan-2-amine (CID 62445758) is N-[[5-(cyclohexyloxymethyl)-3-methylfuran-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(cyclohexyloxymethyl)-3-methylfuran-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(cyclohexyloxymethyl)-3-methylfuran-2-yl]methyl]propan-2-amine is Cc1cc(COC2CCCCC2)oc1CNC(C)C.
What is the InChIKey of N-[[5-(cyclohexyloxymethyl)-3-methylfuran-2-yl]methyl]propan-2-amine?
The InChIKey is OCQLJFBRSOYJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-12(2)17-10-16-13(3)9-15(19-16)11-18-14-7-5-4-6-8-14/h9,12,14,17H,4-8,10-11H2,1-3H3.
What are the key properties of N-[[5-(cyclohexyloxymethyl)-3-methylfuran-2-yl]methyl]propan-2-amine?
N-[[5-(cyclohexyloxymethyl)-3-methylfuran-2-yl]methyl]propan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(cyclohexyloxymethyl)-3-methylfuran-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62445758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).