N-[[3-[(2-ethylcyclohexyl)oxymethyl]furan-2-yl]methyl]cyclopropanamine

C17H27NO2 — CID 62443768

IUPACN-[[3-[(2-ethylcyclohexyl)oxymethyl]furan-2-yl]methyl]cyclopropanamine
SMILESCCC1CCCCC1OCc1ccoc1CNC1CC1
InChIInChI=1S/C17H27NO2/c1-2-13-5-3-4-6-16(13)20-12-14-9-10-19-17(14)11-18-15-7-8-15/h9-10,13,15-16,18H,2-8,11-12H2,1H3
InChIKeyXDUOGDIAOOQGLC-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.02
Rot. Bonds7

About N-[[3-[(2-ethylcyclohexyl)oxymethyl]furan-2-yl]methyl]cyclopropanamine

N-[[3-[(2-ethylcyclohexyl)oxymethyl]furan-2-yl]methyl]cyclopropanamine (PubChem CID 62443768) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[3-[(2-ethylcyclohexyl)oxymethyl]furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[(2-ethylcyclohexyl)oxymethyl]furan-2-yl]methyl]cyclopropanamine
PubChem CID62443768
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[[3-[(2-ethylcyclohexyl)oxymethyl]furan-2-yl]methyl]cyclopropanamine
SMILESCCC1CCCCC1OCc1ccoc1CNC1CC1
InChIInChI=1S/C17H27NO2/c1-2-13-5-3-4-6-16(13)20-12-14-9-10-19-17(14)11-18-15-7-8-15/h9-10,13,15-16,18H,2-8,11-12H2,1H3
InChIKeyXDUOGDIAOOQGLC-UHFFFAOYSA-N
XLogP4.02
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-[(2-ethylcyclohexyl)oxymethyl]furan-2-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[2-[(2-ethylcyclohexyl)oxymethyl]furan-3-yl]methyl]ethanamine
CID 62445110
N-[[3-(2-methylpropoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62446253
N-[[5-[(2-ethylcyclohexyl)oxymethyl]furan-3-yl]methyl]cyclopropanamine
CID 62445685
N-[[3-(oxan-4-yloxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62440336
N-[[3-(hexoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62455337
N-[[3-(octoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62457612
N-[[3-(3-methoxypropoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62442427
N-[[3-[2-(dimethylamino)ethoxymethyl]furan-2-yl]methyl]cyclopropanamine
CID 62460189
N-[[3-(2-cyclobutylethoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 106206176
N-[[2-[(cyclopropylamino)methyl]furan-3-yl]methyl]-N-ethylcyclopentanamine
CID 62422317
N-[[3-[(2-ethylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 55075068
N-[[3-(cyclopentyloxymethyl)furan-2-yl]methyl]-2-methylpropan-2-amine
CID 55072771

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-ethylcyclohexyl)oxymethyl]furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[(2-ethylcyclohexyl)oxymethyl]furan-2-yl]methyl]cyclopropanamine (CID 62443768) is N-[[3-[(2-ethylcyclohexyl)oxymethyl]furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[(2-ethylcyclohexyl)oxymethyl]furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[(2-ethylcyclohexyl)oxymethyl]furan-2-yl]methyl]cyclopropanamine is CCC1CCCCC1OCc1ccoc1CNC1CC1.
What is the InChIKey of N-[[3-[(2-ethylcyclohexyl)oxymethyl]furan-2-yl]methyl]cyclopropanamine?
The InChIKey is XDUOGDIAOOQGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-2-13-5-3-4-6-16(13)20-12-14-9-10-19-17(14)11-18-15-7-8-15/h9-10,13,15-16,18H,2-8,11-12H2,1H3.
What are the key properties of N-[[3-[(2-ethylcyclohexyl)oxymethyl]furan-2-yl]methyl]cyclopropanamine?
N-[[3-[(2-ethylcyclohexyl)oxymethyl]furan-2-yl]methyl]cyclopropanamine has a molecular weight of 277.41 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-ethylcyclohexyl)oxymethyl]furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62443768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).