N-[[5-[(2-ethylcyclohexyl)oxymethyl]furan-3-yl]methyl]cyclopropanamine

C17H27NO2 — CID 62445685

IUPACN-[[5-[(2-ethylcyclohexyl)oxymethyl]furan-3-yl]methyl]cyclopropanamine
SMILESCCC1CCCCC1OCc1cc(CNC2CC2)co1
InChIInChI=1S/C17H27NO2/c1-2-14-5-3-4-6-17(14)20-12-16-9-13(11-19-16)10-18-15-7-8-15/h9,11,14-15,17-18H,2-8,10,12H2,1H3
InChIKeyXLKBRPFLSBIQNK-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.02
Rot. Bonds7

About N-[[5-[(2-ethylcyclohexyl)oxymethyl]furan-3-yl]methyl]cyclopropanamine

N-[[5-[(2-ethylcyclohexyl)oxymethyl]furan-3-yl]methyl]cyclopropanamine (PubChem CID 62445685) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[5-[(2-ethylcyclohexyl)oxymethyl]furan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[(2-ethylcyclohexyl)oxymethyl]furan-3-yl]methyl]cyclopropanamine
PubChem CID62445685
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[[5-[(2-ethylcyclohexyl)oxymethyl]furan-3-yl]methyl]cyclopropanamine
SMILESCCC1CCCCC1OCc1cc(CNC2CC2)co1
InChIInChI=1S/C17H27NO2/c1-2-14-5-3-4-6-17(14)20-12-16-9-13(11-19-16)10-18-15-7-8-15/h9,11,14-15,17-18H,2-8,10,12H2,1H3
InChIKeyXLKBRPFLSBIQNK-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-[[5-[(2-ethylcyclohexyl)oxymethyl]furan-3-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

1-[5-[(2-ethylcyclohexyl)oxymethyl]furan-3-yl]-N-methylmethanamine
CID 62445491
5-[(2-ethylcyclohexyl)oxymethyl]furan-3-carbohydrazide
CID 55214949
N-[[3-[(2-ethylcyclohexyl)oxymethyl]furan-2-yl]methyl]cyclopropanamine
CID 62443768
N-[[5-(butoxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62451891
N-[[5-(propan-2-yloxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62456702
1-[5-(cyclopentyloxymethyl)furan-3-yl]-N-methylmethanamine
CID 62444242
N-[[5-[(4-bromophenyl)methoxymethyl]furan-3-yl]methyl]cyclopropanamine
CID 82831319
N-[[5-[2-(dimethylamino)ethoxymethyl]furan-3-yl]methyl]cyclopropanamine
CID 62460736
N-[[5-[(3,3,5-trimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]cyclopropanamine
CID 62458109
N-[[5-(cyclopentyloxymethyl)furan-3-yl]methyl]-2-methylpropan-2-amine
CID 62444439
N-[[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-3-yl]methyl]cyclopropanamine
CID 112589813
N-[[5-(3-methylbut-3-enoxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 114470626

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2-ethylcyclohexyl)oxymethyl]furan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[(2-ethylcyclohexyl)oxymethyl]furan-3-yl]methyl]cyclopropanamine (CID 62445685) is N-[[5-[(2-ethylcyclohexyl)oxymethyl]furan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[(2-ethylcyclohexyl)oxymethyl]furan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[(2-ethylcyclohexyl)oxymethyl]furan-3-yl]methyl]cyclopropanamine is CCC1CCCCC1OCc1cc(CNC2CC2)co1.
What is the InChIKey of N-[[5-[(2-ethylcyclohexyl)oxymethyl]furan-3-yl]methyl]cyclopropanamine?
The InChIKey is XLKBRPFLSBIQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-2-14-5-3-4-6-17(14)20-12-16-9-13(11-19-16)10-18-15-7-8-15/h9,11,14-15,17-18H,2-8,10,12H2,1H3.
What are the key properties of N-[[5-[(2-ethylcyclohexyl)oxymethyl]furan-3-yl]methyl]cyclopropanamine?
N-[[5-[(2-ethylcyclohexyl)oxymethyl]furan-3-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-[[5-[(2-ethylcyclohexyl)oxymethyl]furan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62445685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).