3-[[5-(methoxymethyl)furan-2-yl]methylamino]pentan-1-ol

C12H21NO3 — CID 115710985

IUPAC3-[[5-(methoxymethyl)furan-2-yl]methylamino]pentan-1-ol
SMILESCCC(CCO)NCc1ccc(COC)o1
InChIInChI=1S/C12H21NO3/c1-3-10(6-7-14)13-8-11-4-5-12(16-11)9-15-2/h4-5,10,13-14H,3,6-9H2,1-2H3
InChIKeyQAZXLWYGISFNBA-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.68
Rot. Bonds8

About 3-[[5-(methoxymethyl)furan-2-yl]methylamino]pentan-1-ol

3-[[5-(methoxymethyl)furan-2-yl]methylamino]pentan-1-ol (PubChem CID 115710985) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 3-[[5-(methoxymethyl)furan-2-yl]methylamino]pentan-1-ol.

Molecular Properties

Compound Name3-[[5-(methoxymethyl)furan-2-yl]methylamino]pentan-1-ol
PubChem CID115710985
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name3-[[5-(methoxymethyl)furan-2-yl]methylamino]pentan-1-ol
SMILESCCC(CCO)NCc1ccc(COC)o1
InChIInChI=1S/C12H21NO3/c1-3-10(6-7-14)13-8-11-4-5-12(16-11)9-15-2/h4-5,10,13-14H,3,6-9H2,1-2H3
InChIKeyQAZXLWYGISFNBA-UHFFFAOYSA-N
XLogP1.68
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(methoxymethyl)furan-2-yl]methylamino]pentan-1-ol?
The IUPAC name of 3-[[5-(methoxymethyl)furan-2-yl]methylamino]pentan-1-ol (CID 115710985) is 3-[[5-(methoxymethyl)furan-2-yl]methylamino]pentan-1-ol.
What is the SMILES notation for 3-[[5-(methoxymethyl)furan-2-yl]methylamino]pentan-1-ol?
The canonical SMILES for 3-[[5-(methoxymethyl)furan-2-yl]methylamino]pentan-1-ol is CCC(CCO)NCc1ccc(COC)o1.
What is the InChIKey of 3-[[5-(methoxymethyl)furan-2-yl]methylamino]pentan-1-ol?
The InChIKey is QAZXLWYGISFNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-3-10(6-7-14)13-8-11-4-5-12(16-11)9-15-2/h4-5,10,13-14H,3,6-9H2,1-2H3.
What are the key properties of 3-[[5-(methoxymethyl)furan-2-yl]methylamino]pentan-1-ol?
3-[[5-(methoxymethyl)furan-2-yl]methylamino]pentan-1-ol has a molecular weight of 227.30 g/mol, XLogP of 1.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(methoxymethyl)furan-2-yl]methylamino]pentan-1-ol is sourced from PubChem (CID 115710985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).