N-(furan-2-ylmethyl)-3-morpholin-4-ylpropan-1-amine

C12H20N2O2 — CID 3312689

IUPACN-(furan-2-ylmethyl)-3-morpholin-4-ylpropan-1-amine
SMILESc1coc(CNCCCN2CCOCC2)c1
InChIInChI=1S/C12H20N2O2/c1-3-12(16-8-1)11-13-4-2-5-14-6-9-15-10-7-14/h1,3,8,13H,2,4-7,9-11H2
InChIKeyILBCZZMPZQMCOJ-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.09
Rot. Bonds6

About N-(furan-2-ylmethyl)-3-morpholin-4-ylpropan-1-amine

N-(furan-2-ylmethyl)-3-morpholin-4-ylpropan-1-amine (PubChem CID 3312689) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-morpholin-4-ylpropan-1-amine
PubChem CID3312689
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-(furan-2-ylmethyl)-3-morpholin-4-ylpropan-1-amine
SMILESc1coc(CNCCCN2CCOCC2)c1
InChIInChI=1S/C12H20N2O2/c1-3-12(16-8-1)11-13-4-2-5-14-6-9-15-10-7-14/h1,3,8,13H,2,4-7,9-11H2
InChIKeyILBCZZMPZQMCOJ-UHFFFAOYSA-N
XLogP1.09
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.09
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

5-Methylfurtrethonium
CID 4141
1-(2-Furoyl)piperazine
CID 550206
4-(Furan-2-carbonyl)piperazine-1-carboxamide
CID 762331
4-Acetyl 1-(2-furoyl)piperazine
CID 565340
2-Furanmethanaminium, N,N,N-trimethyl-, iodide (1:1)
CID 10937
N,N,N-Trimethyl-2-furanmethanaminium
CID 10938
5-(2-Furylmethyl)-1,3,5-triazinane-2-thione
CID 929663
2-Furanmethanaminium, N,N,N,5-tetramethyl-, iodide (1:1)
CID 70973
Furfurylamphetamine
CID 18116
2-(Furan-2-yl)piperidine
CID 4715025
[(Furan-2-yl)methyl]urea
CID 587724
n-(2-Furylmethyl)-2-phenoxyacetamide
CID 240163

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-(furan-2-ylmethyl)-3-morpholin-4-ylpropan-1-amine (CID 3312689) is N-(furan-2-ylmethyl)-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-3-morpholin-4-ylpropan-1-amine is c1coc(CNCCCN2CCOCC2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-morpholin-4-ylpropan-1-amine?
The InChIKey is ILBCZZMPZQMCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-12(16-8-1)11-13-4-2-5-14-6-9-15-10-7-14/h1,3,8,13H,2,4-7,9-11H2.
What are the key properties of N-(furan-2-ylmethyl)-3-morpholin-4-ylpropan-1-amine?
N-(furan-2-ylmethyl)-3-morpholin-4-ylpropan-1-amine has a molecular weight of 224.30 g/mol, XLogP of 1.09, 6 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-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 3312689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).