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

C13H21NO2 — CID 62454822

IUPACN-[[2-(butan-2-yloxymethyl)furan-3-yl]methyl]cyclopropanamine
SMILESCCC(C)OCc1occc1CNC1CC1
InChIInChI=1S/C13H21NO2/c1-3-10(2)16-9-13-11(6-7-15-13)8-14-12-4-5-12/h6-7,10,12,14H,3-5,8-9H2,1-2H3
InChIKeyKISBBFQJAUZPMV-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.85
Rot. Bonds7

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

N-[[2-(butan-2-yloxymethyl)furan-3-yl]methyl]cyclopropanamine (PubChem CID 62454822) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[[2-(butan-2-yloxymethyl)furan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(butan-2-yloxymethyl)furan-3-yl]methyl]cyclopropanamine
PubChem CID62454822
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-[[2-(butan-2-yloxymethyl)furan-3-yl]methyl]cyclopropanamine
SMILESCCC(C)OCc1occc1CNC1CC1
InChIInChI=1S/C13H21NO2/c1-3-10(2)16-9-13-11(6-7-15-13)8-14-12-4-5-12/h6-7,10,12,14H,3-5,8-9H2,1-2H3
InChIKeyKISBBFQJAUZPMV-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

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Related Compounds

N-[[2-(methoxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62444084
N-[[5-(butan-2-yloxymethyl)thiophen-2-yl]methyl]cyclopropanamine
CID 107558549
N-[[5-(butan-2-yloxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62454835
N-[[2-[(4-fluorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62453268
N-[[2-[[butan-2-yl(2-methoxyethyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62462065
N-[[3-(2-methylpropoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62446253
N-[[2-(1-ethoxypropan-2-yloxymethyl)furan-3-yl]methyl]ethanamine
CID 103490484
N-[[2-[(2,3-dichlorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62449785
N-[[3-[(4-propan-2-ylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 103503329
N-[[2-(oxan-4-ylmethoxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62484757
N-[[2-[(2-prop-2-enylphenoxy)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62523408
N-[[2-[[ethyl(propyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62421778

Frequently Asked Questions

What is the IUPAC name of N-[[2-(butan-2-yloxymethyl)furan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(butan-2-yloxymethyl)furan-3-yl]methyl]cyclopropanamine (CID 62454822) is N-[[2-(butan-2-yloxymethyl)furan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(butan-2-yloxymethyl)furan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(butan-2-yloxymethyl)furan-3-yl]methyl]cyclopropanamine is CCC(C)OCc1occc1CNC1CC1.
What is the InChIKey of N-[[2-(butan-2-yloxymethyl)furan-3-yl]methyl]cyclopropanamine?
The InChIKey is KISBBFQJAUZPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-10(2)16-9-13-11(6-7-15-13)8-14-12-4-5-12/h6-7,10,12,14H,3-5,8-9H2,1-2H3.
What are the key properties of N-[[2-(butan-2-yloxymethyl)furan-3-yl]methyl]cyclopropanamine?
N-[[2-(butan-2-yloxymethyl)furan-3-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-[[2-(butan-2-yloxymethyl)furan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62454822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).