N-[[3-(oxan-4-yloxymethyl)furan-2-yl]methyl]cyclopropanamine

C14H21NO3 — CID 62440336

IUPACN-[[3-(oxan-4-yloxymethyl)furan-2-yl]methyl]cyclopropanamine
SMILESc1cc(COC2CCOCC2)c(CNC2CC2)o1
InChIInChI=1S/C14H21NO3/c1-2-12(1)15-9-14-11(3-8-17-14)10-18-13-4-6-16-7-5-13/h3,8,12-13,15H,1-2,4-7,9-10H2
InChIKeyGCMFANADVSVYLE-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.23
Rot. Bonds6

About N-[[3-(oxan-4-yloxymethyl)furan-2-yl]methyl]cyclopropanamine

N-[[3-(oxan-4-yloxymethyl)furan-2-yl]methyl]cyclopropanamine (PubChem CID 62440336) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[[3-(oxan-4-yloxymethyl)furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(oxan-4-yloxymethyl)furan-2-yl]methyl]cyclopropanamine
PubChem CID62440336
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-[[3-(oxan-4-yloxymethyl)furan-2-yl]methyl]cyclopropanamine
SMILESc1cc(COC2CCOCC2)c(CNC2CC2)o1
InChIInChI=1S/C14H21NO3/c1-2-12(1)15-9-14-11(3-8-17-14)10-18-13-4-6-16-7-5-13/h3,8,12-13,15H,1-2,4-7,9-10H2
InChIKeyGCMFANADVSVYLE-UHFFFAOYSA-N
XLogP2.23
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(2-methylpropoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62446253
N-[[3-(hexoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62455337
N-[[2-(oxan-4-ylmethoxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62484757
N-[[3-(octoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62457612
N-[[3-[(2-ethylcyclohexyl)oxymethyl]furan-2-yl]methyl]cyclopropanamine
CID 62443768
N-[[3-(cyclopentyloxymethyl)furan-2-yl]methyl]-2-methylpropan-2-amine
CID 55072771
N-[[3-(cyclohexyloxymethyl)furan-2-yl]methyl]-2-methylpropan-1-amine
CID 62445379
N-[[3-(cycloheptyloxymethyl)furan-2-yl]methyl]-2-methylpropan-1-amine
CID 62458623
N-[[3-(3-methoxypropoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62442427
N-[[5-methyl-4-(oxan-4-yloxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62441084
N-[[3-(2-cyclobutylethoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 106206176
N-[[3-[2-(dimethylamino)ethoxymethyl]furan-2-yl]methyl]cyclopropanamine
CID 62460189

Frequently Asked Questions

What is the IUPAC name of N-[[3-(oxan-4-yloxymethyl)furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(oxan-4-yloxymethyl)furan-2-yl]methyl]cyclopropanamine (CID 62440336) is N-[[3-(oxan-4-yloxymethyl)furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(oxan-4-yloxymethyl)furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(oxan-4-yloxymethyl)furan-2-yl]methyl]cyclopropanamine is c1cc(COC2CCOCC2)c(CNC2CC2)o1.
What is the InChIKey of N-[[3-(oxan-4-yloxymethyl)furan-2-yl]methyl]cyclopropanamine?
The InChIKey is GCMFANADVSVYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-2-12(1)15-9-14-11(3-8-17-14)10-18-13-4-6-16-7-5-13/h3,8,12-13,15H,1-2,4-7,9-10H2.
What are the key properties of N-[[3-(oxan-4-yloxymethyl)furan-2-yl]methyl]cyclopropanamine?
N-[[3-(oxan-4-yloxymethyl)furan-2-yl]methyl]cyclopropanamine has a molecular weight of 251.33 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(oxan-4-yloxymethyl)furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62440336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).