N-[[5-(butoxymethyl)furan-3-yl]methyl]cyclopropanamine

C13H21NO2 — CID 62451891

IUPACN-[[5-(butoxymethyl)furan-3-yl]methyl]cyclopropanamine
SMILESCCCCOCc1cc(CNC2CC2)co1
InChIInChI=1S/C13H21NO2/c1-2-3-6-15-10-13-7-11(9-16-13)8-14-12-4-5-12/h7,9,12,14H,2-6,8,10H2,1H3
InChIKeyYMZBQEHXIGNSQG-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.85
Rot. Bonds8

About N-[[5-(butoxymethyl)furan-3-yl]methyl]cyclopropanamine

N-[[5-(butoxymethyl)furan-3-yl]methyl]cyclopropanamine (PubChem CID 62451891) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[[5-(butoxymethyl)furan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(butoxymethyl)furan-3-yl]methyl]cyclopropanamine
PubChem CID62451891
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-[[5-(butoxymethyl)furan-3-yl]methyl]cyclopropanamine
SMILESCCCCOCc1cc(CNC2CC2)co1
InChIInChI=1S/C13H21NO2/c1-2-3-6-15-10-13-7-11(9-16-13)8-14-12-4-5-12/h7,9,12,14H,2-6,8,10H2,1H3
InChIKeyYMZBQEHXIGNSQG-UHFFFAOYSA-N
XLogP2.85
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-[2-(dimethylamino)ethoxymethyl]furan-3-yl]methyl]cyclopropanamine
CID 62460736
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
N-[[5-(pentoxymethyl)furan-3-yl]methyl]ethanamine
CID 62450269
N-[[5-(propan-2-yloxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62456702
[5-(butoxymethyl)furan-3-yl]methanamine
CID 62451528
N-[[5-[(4-bromophenyl)methoxymethyl]furan-3-yl]methyl]cyclopropanamine
CID 82831319
N-[[5-(2-butoxyethoxymethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62457342
N-[[5-[(4-chlorophenyl)methoxymethyl]furan-3-yl]methyl]cyclopropanamine
CID 65125603
N-[[5-[(dipropylamino)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62438391
N-[[5-[(2-ethylcyclohexyl)oxymethyl]furan-3-yl]methyl]cyclopropanamine
CID 62445685
N-[[5-(butoxymethyl)thiophen-2-yl]methyl]cyclopropanamine
CID 107558277

Frequently Asked Questions

What is the IUPAC name of N-[[5-(butoxymethyl)furan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(butoxymethyl)furan-3-yl]methyl]cyclopropanamine (CID 62451891) is N-[[5-(butoxymethyl)furan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(butoxymethyl)furan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(butoxymethyl)furan-3-yl]methyl]cyclopropanamine is CCCCOCc1cc(CNC2CC2)co1.
What is the InChIKey of N-[[5-(butoxymethyl)furan-3-yl]methyl]cyclopropanamine?
The InChIKey is YMZBQEHXIGNSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-2-3-6-15-10-13-7-11(9-16-13)8-14-12-4-5-12/h7,9,12,14H,2-6,8,10H2,1H3.
What are the key properties of N-[[5-(butoxymethyl)furan-3-yl]methyl]cyclopropanamine?
N-[[5-(butoxymethyl)furan-3-yl]methyl]cyclopropanamine has a molecular weight of 223.32 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(butoxymethyl)furan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62451891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).