N-[[5-(butan-2-yloxymethyl)furan-2-yl]methyl]cyclopropanamine

C13H21NO2 — CID 62454835

IUPACN-[[5-(butan-2-yloxymethyl)furan-2-yl]methyl]cyclopropanamine
SMILESCCC(C)OCc1ccc(CNC2CC2)o1
InChIInChI=1S/C13H21NO2/c1-3-10(2)15-9-13-7-6-12(16-13)8-14-11-4-5-11/h6-7,10-11,14H,3-5,8-9H2,1-2H3
InChIKeyYRAUYNUEAWCQTQ-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.85
Rot. Bonds7

About N-[[5-(butan-2-yloxymethyl)furan-2-yl]methyl]cyclopropanamine

N-[[5-(butan-2-yloxymethyl)furan-2-yl]methyl]cyclopropanamine (PubChem CID 62454835) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[[5-(butan-2-yloxymethyl)furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(butan-2-yloxymethyl)furan-2-yl]methyl]cyclopropanamine
PubChem CID62454835
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-[[5-(butan-2-yloxymethyl)furan-2-yl]methyl]cyclopropanamine
SMILESCCC(C)OCc1ccc(CNC2CC2)o1
InChIInChI=1S/C13H21NO2/c1-3-10(2)15-9-13-7-6-12(16-13)8-14-11-4-5-11/h6-7,10-11,14H,3-5,8-9H2,1-2H3
InChIKeyYRAUYNUEAWCQTQ-UHFFFAOYSA-N
XLogP2.85
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-(butan-2-yloxymethyl)furan-2-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[5-(butan-2-yloxymethyl)thiophen-2-yl]methyl]cyclopropanamine
CID 107558549
N-[[2-(butan-2-yloxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62454822
N-[[5-[2-[di(propan-2-yl)amino]ethoxymethyl]furan-2-yl]methyl]cyclopropanamine
CID 115505831
N-[[5-[[butan-2-yl(ethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 55074401
N-[[5-[[2-methylpropyl(pentan-3-yl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 79490285
N-[[5-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62454708
[5-[(cyclopropylamino)methyl]furan-2-yl]methanol
CID 20559403
N-[[5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 81067953
N-[[5-(3-methylbutan-2-ylsulfonylmethyl)furan-2-yl]methyl]cyclopropanamine
CID 107759132
N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62453576
4-[(5-ethylfuran-2-yl)methylamino]cyclohexane-1-carboxylic acid
CID 65055158
N-[[5-(methoxymethyl)furan-2-yl]methyl]-3-methylcyclobutan-1-amine
CID 115711073

Frequently Asked Questions

What is the IUPAC name of N-[[5-(butan-2-yloxymethyl)furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(butan-2-yloxymethyl)furan-2-yl]methyl]cyclopropanamine (CID 62454835) is N-[[5-(butan-2-yloxymethyl)furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(butan-2-yloxymethyl)furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(butan-2-yloxymethyl)furan-2-yl]methyl]cyclopropanamine is CCC(C)OCc1ccc(CNC2CC2)o1.
What is the InChIKey of N-[[5-(butan-2-yloxymethyl)furan-2-yl]methyl]cyclopropanamine?
The InChIKey is YRAUYNUEAWCQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-10(2)15-9-13-7-6-12(16-13)8-14-11-4-5-11/h6-7,10-11,14H,3-5,8-9H2,1-2H3.
What are the key properties of N-[[5-(butan-2-yloxymethyl)furan-2-yl]methyl]cyclopropanamine?
N-[[5-(butan-2-yloxymethyl)furan-2-yl]methyl]cyclopropanamine has a molecular weight of 223.32 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(butan-2-yloxymethyl)furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62454835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).