N-(furan-2-ylmethyl)-3-(oxolan-3-yloxy)propan-1-amine

C12H19NO3 — CID 115690981

IUPACN-(furan-2-ylmethyl)-3-(oxolan-3-yloxy)propan-1-amine
SMILESc1coc(CNCCCOC2CCOC2)c1
InChIInChI=1S/C12H19NO3/c1-3-11(15-6-1)9-13-5-2-7-16-12-4-8-14-10-12/h1,3,6,12-13H,2,4-5,7-10H2
InChIKeyZBGBIKXOWPKEMG-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.56
Rot. Bonds7

About N-(furan-2-ylmethyl)-3-(oxolan-3-yloxy)propan-1-amine

N-(furan-2-ylmethyl)-3-(oxolan-3-yloxy)propan-1-amine (PubChem CID 115690981) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-(oxolan-3-yloxy)propan-1-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-(oxolan-3-yloxy)propan-1-amine
PubChem CID115690981
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC NameN-(furan-2-ylmethyl)-3-(oxolan-3-yloxy)propan-1-amine
SMILESc1coc(CNCCCOC2CCOC2)c1
InChIInChI=1S/C12H19NO3/c1-3-11(15-6-1)9-13-5-2-7-16-12-4-8-14-10-12/h1,3,6,12-13H,2,4-5,7-10H2
InChIKeyZBGBIKXOWPKEMG-UHFFFAOYSA-N
XLogP1.56
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(furan-2-ylmethyl)pentane-1,5-diamine
CID 170781680
N-(furan-2-ylmethyl)-2-(oxolan-3-yloxy)propan-1-amine
CID 63556735
1-[2-(furan-2-yl)ethyl]-2-(2-methylpropyl)-3-[3-(oxolan-3-yloxy)propyl]guanidine
CID 110058984
1-[2-(furan-2-yl)ethyl]-3-[3-(oxolan-3-yloxy)propyl]-2-propylguanidine;hydroiodide
CID 110058995
N-(furan-2-ylmethyl)-2-(4-methylcyclohexyl)oxyethanamine
CID 62566530
1-[2-(furan-2-yl)ethyl]-2-(oxan-2-ylmethyl)-3-[3-(oxolan-3-yloxy)propyl]guanidine;hydroiodide
CID 110059027
1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-[3-(oxolan-3-yloxy)propyl]guanidine
CID 110058982
2,2-dimethyl-N-[3-(oxolan-3-yloxy)propyl]propan-1-amine
CID 115690996
N-(furan-2-ylmethyl)-3-propan-2-yloxypropan-1-amine
CID 3155080
1-[2-(furan-2-yl)ethyl]-2-[3-(oxolan-3-yloxy)propyl]-3-(2-phenylsulfanylethyl)guanidine;hydroiodide
CID 110059001
2-(cyclopropylmethoxy)-N-(furan-2-ylmethyl)ethanamine
CID 62599394
N'-(furan-2-ylmethyl)hexane-1,6-diamine
CID 61150200

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-(oxolan-3-yloxy)propan-1-amine?
The IUPAC name of N-(furan-2-ylmethyl)-3-(oxolan-3-yloxy)propan-1-amine (CID 115690981) is N-(furan-2-ylmethyl)-3-(oxolan-3-yloxy)propan-1-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-(oxolan-3-yloxy)propan-1-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-3-(oxolan-3-yloxy)propan-1-amine is c1coc(CNCCCOC2CCOC2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-(oxolan-3-yloxy)propan-1-amine?
The InChIKey is ZBGBIKXOWPKEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-3-11(15-6-1)9-13-5-2-7-16-12-4-8-14-10-12/h1,3,6,12-13H,2,4-5,7-10H2.
What are the key properties of N-(furan-2-ylmethyl)-3-(oxolan-3-yloxy)propan-1-amine?
N-(furan-2-ylmethyl)-3-(oxolan-3-yloxy)propan-1-amine has a molecular weight of 225.29 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-(oxolan-3-yloxy)propan-1-amine is sourced from PubChem (CID 115690981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).