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

C15H23NO2 — CID 106206176

IUPACN-[[3-(2-cyclobutylethoxymethyl)furan-2-yl]methyl]cyclopropanamine
SMILESc1cc(COCCC2CCC2)c(CNC2CC2)o1
InChIInChI=1S/C15H23NO2/c1-2-12(3-1)6-8-17-11-13-7-9-18-15(13)10-16-14-4-5-14/h7,9,12,14,16H,1-6,8,10-11H2
InChIKeyZXFAWEQNZKGGKF-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.24
Rot. Bonds8

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

N-[[3-(2-cyclobutylethoxymethyl)furan-2-yl]methyl]cyclopropanamine (PubChem CID 106206176) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[[3-(2-cyclobutylethoxymethyl)furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(2-cyclobutylethoxymethyl)furan-2-yl]methyl]cyclopropanamine
PubChem CID106206176
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-[[3-(2-cyclobutylethoxymethyl)furan-2-yl]methyl]cyclopropanamine
SMILESc1cc(COCCC2CCC2)c(CNC2CC2)o1
InChIInChI=1S/C15H23NO2/c1-2-12(3-1)6-8-17-11-13-7-9-18-15(13)10-16-14-4-5-14/h7,9,12,14,16H,1-6,8,10-11H2
InChIKeyZXFAWEQNZKGGKF-UHFFFAOYSA-N
XLogP3.24
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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-(hexoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62455337
N-[[3-(octoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62457612
N-[[3-(pent-4-enoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 79113810
N-[[3-(2-methylpropoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62446253
3-(2-cyclobutylethoxymethyl)furan-2-carbohydrazide
CID 106206548
N-[[3-(oxan-4-yloxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62440336
N-[[6-(2-cyclobutylethoxymethyl)-2-pyridinyl]methyl]cyclopropanamine
CID 106206138
N-[[2-[(cyclopropylamino)methyl]furan-3-yl]methyl]-N-ethylcyclopentanamine
CID 62422317
N-[[3-[(3-methoxyphenyl)methoxymethyl]furan-2-yl]methyl]cyclopropanamine
CID 62440737
N-[[3-[(2-ethylcyclohexyl)oxymethyl]furan-2-yl]methyl]cyclopropanamine
CID 62443768

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-cyclobutylethoxymethyl)furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(2-cyclobutylethoxymethyl)furan-2-yl]methyl]cyclopropanamine (CID 106206176) is N-[[3-(2-cyclobutylethoxymethyl)furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(2-cyclobutylethoxymethyl)furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(2-cyclobutylethoxymethyl)furan-2-yl]methyl]cyclopropanamine is c1cc(COCCC2CCC2)c(CNC2CC2)o1.
What is the InChIKey of N-[[3-(2-cyclobutylethoxymethyl)furan-2-yl]methyl]cyclopropanamine?
The InChIKey is ZXFAWEQNZKGGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-2-12(3-1)6-8-17-11-13-7-9-18-15(13)10-16-14-4-5-14/h7,9,12,14,16H,1-6,8,10-11H2.
What are the key properties of N-[[3-(2-cyclobutylethoxymethyl)furan-2-yl]methyl]cyclopropanamine?
N-[[3-(2-cyclobutylethoxymethyl)furan-2-yl]methyl]cyclopropanamine has a molecular weight of 249.35 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-cyclobutylethoxymethyl)furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 106206176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).