N-[[5-[(2-ethylcyclohexyl)oxymethyl]-2-methylfuran-3-yl]methyl]ethanamine

C17H29NO2 — CID 62445490

IUPACN-[[5-[(2-ethylcyclohexyl)oxymethyl]-2-methylfuran-3-yl]methyl]ethanamine
SMILESCCNCc1cc(COC2CCCCC2CC)oc1C
InChIInChI=1S/C17H29NO2/c1-4-14-8-6-7-9-17(14)19-12-16-10-15(11-18-5-2)13(3)20-16/h10,14,17-18H,4-9,11-12H2,1-3H3
InChIKeyVAZAXSIVEMHPKB-UHFFFAOYSA-N
MW279.42 g/mol
LogP4.18
Rot. Bonds7

About N-[[5-[(2-ethylcyclohexyl)oxymethyl]-2-methylfuran-3-yl]methyl]ethanamine

N-[[5-[(2-ethylcyclohexyl)oxymethyl]-2-methylfuran-3-yl]methyl]ethanamine (PubChem CID 62445490) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is N-[[5-[(2-ethylcyclohexyl)oxymethyl]-2-methylfuran-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[(2-ethylcyclohexyl)oxymethyl]-2-methylfuran-3-yl]methyl]ethanamine
PubChem CID62445490
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameN-[[5-[(2-ethylcyclohexyl)oxymethyl]-2-methylfuran-3-yl]methyl]ethanamine
SMILESCCNCc1cc(COC2CCCCC2CC)oc1C
InChIInChI=1S/C17H29NO2/c1-4-14-8-6-7-9-17(14)19-12-16-10-15(11-18-5-2)13(3)20-16/h10,14,17-18H,4-9,11-12H2,1-3H3
InChIKeyVAZAXSIVEMHPKB-UHFFFAOYSA-N
XLogP4.18
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(2-ethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methyl]propan-1-amine
CID 62443965
[4-[(2-ethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methanamine
CID 62445112
N-[[2-methyl-5-[(1-methylpiperidin-4-yl)oxymethyl]furan-3-yl]methyl]ethanamine
CID 62443209
N-[[2-[(2-ethylcyclohexyl)oxymethyl]furan-3-yl]methyl]ethanamine
CID 62445110
N-[[5-(cyclopropylmethoxymethyl)-2-methylfuran-3-yl]methyl]ethanamine
CID 62457249
N-[[5-(cyclohexyloxymethyl)-2-methylfuran-3-yl]methyl]propan-1-amine
CID 62445186
N-[[2-methyl-5-[(2-methylcyclohexyl)oxymethyl]furan-3-yl]methyl]propan-2-amine
CID 62445863
4-[(2-ethylcyclohexyl)oxymethyl]-5-methylfuran-2-carboxylic acid
CID 62274302
5-[(2-ethylcyclohexyl)oxymethyl]furan-2-carbohydrazide
CID 63576626
N-[[5-[3-(2-methoxyethoxy)propoxymethyl]-2-methylfuran-3-yl]methyl]ethanamine
CID 103406053
N-[[2-methyl-5-(3-methylbutoxymethyl)furan-3-yl]methyl]ethanamine
CID 55077940
N-[[5-(heptoxymethyl)-2-methylfuran-3-yl]methyl]ethanamine
CID 62455820

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2-ethylcyclohexyl)oxymethyl]-2-methylfuran-3-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[(2-ethylcyclohexyl)oxymethyl]-2-methylfuran-3-yl]methyl]ethanamine (CID 62445490) is N-[[5-[(2-ethylcyclohexyl)oxymethyl]-2-methylfuran-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[(2-ethylcyclohexyl)oxymethyl]-2-methylfuran-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[(2-ethylcyclohexyl)oxymethyl]-2-methylfuran-3-yl]methyl]ethanamine is CCNCc1cc(COC2CCCCC2CC)oc1C.
What is the InChIKey of N-[[5-[(2-ethylcyclohexyl)oxymethyl]-2-methylfuran-3-yl]methyl]ethanamine?
The InChIKey is VAZAXSIVEMHPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-4-14-8-6-7-9-17(14)19-12-16-10-15(11-18-5-2)13(3)20-16/h10,14,17-18H,4-9,11-12H2,1-3H3.
What are the key properties of N-[[5-[(2-ethylcyclohexyl)oxymethyl]-2-methylfuran-3-yl]methyl]ethanamine?
N-[[5-[(2-ethylcyclohexyl)oxymethyl]-2-methylfuran-3-yl]methyl]ethanamine has a molecular weight of 279.42 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2-ethylcyclohexyl)oxymethyl]-2-methylfuran-3-yl]methyl]ethanamine is sourced from PubChem (CID 62445490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).