2-(furan-2-yl)-N-[(3-methylpiperidin-2-yl)methyl]ethanamine

C13H22N2O — CID 107069094

IUPAC2-(furan-2-yl)-N-[(3-methylpiperidin-2-yl)methyl]ethanamine
SMILESCC1CCCNC1CNCCc1ccco1
InChIInChI=1S/C13H22N2O/c1-11-4-2-7-15-13(11)10-14-8-6-12-5-3-9-16-12/h3,5,9,11,13-15H,2,4,6-8,10H2,1H3
InChIKeyMFXGDUJZMIOAPR-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.80
Rot. Bonds5

About 2-(furan-2-yl)-N-[(3-methylpiperidin-2-yl)methyl]ethanamine

2-(furan-2-yl)-N-[(3-methylpiperidin-2-yl)methyl]ethanamine (PubChem CID 107069094) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-[(3-methylpiperidin-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(furan-2-yl)-N-[(3-methylpiperidin-2-yl)methyl]ethanamine
PubChem CID107069094
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-(furan-2-yl)-N-[(3-methylpiperidin-2-yl)methyl]ethanamine
SMILESCC1CCCNC1CNCCc1ccco1
InChIInChI=1S/C13H22N2O/c1-11-4-2-7-15-13(11)10-14-8-6-12-5-3-9-16-12/h3,5,9,11,13-15H,2,4,6-8,10H2,1H3
InChIKeyMFXGDUJZMIOAPR-UHFFFAOYSA-N
XLogP1.80
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(furan-2-yl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79540382
N-(1,3-dioxan-4-ylmethyl)-2-(furan-2-yl)ethanamine
CID 81102042
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-2-(furan-2-yl)ethanamine
CID 54954739
N-(2,3-dihydro-1H-indol-2-ylmethyl)-2-(furan-2-yl)ethanamine
CID 80567501
N-(furan-2-ylmethyl)-1-(2-methylcyclopentyl)methanamine
CID 107178330
4-(furan-2-yl)-N-[(2-methylcyclohexyl)methyl]butan-2-amine
CID 55013434
2-(azetidin-3-yl)-N-[2-(furan-2-yl)ethyl]ethanamine
CID 116679692
N-[2-(furan-2-yl)ethyl]-2-pyridin-4-ylethanamine
CID 60719415
N-[2-(furan-2-yl)ethyl]-1-piperidin-3-ylmethanesulfonamide
CID 54972407
2-(azetidin-3-yl)-N-[2-(furan-2-yl)ethyl]propan-1-amine
CID 116679693
N-[2-(furan-2-yl)ethyl]-4-methylcycloheptan-1-amine
CID 65080639
N-[(2-methyloxolan-2-yl)methyl]-1-(3-methylpiperidin-2-yl)methanamine
CID 107069381

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-[(3-methylpiperidin-2-yl)methyl]ethanamine?
The IUPAC name of 2-(furan-2-yl)-N-[(3-methylpiperidin-2-yl)methyl]ethanamine (CID 107069094) is 2-(furan-2-yl)-N-[(3-methylpiperidin-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(furan-2-yl)-N-[(3-methylpiperidin-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(furan-2-yl)-N-[(3-methylpiperidin-2-yl)methyl]ethanamine is CC1CCCNC1CNCCc1ccco1.
What is the InChIKey of 2-(furan-2-yl)-N-[(3-methylpiperidin-2-yl)methyl]ethanamine?
The InChIKey is MFXGDUJZMIOAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11-4-2-7-15-13(11)10-14-8-6-12-5-3-9-16-12/h3,5,9,11,13-15H,2,4,6-8,10H2,1H3.
What are the key properties of 2-(furan-2-yl)-N-[(3-methylpiperidin-2-yl)methyl]ethanamine?
2-(furan-2-yl)-N-[(3-methylpiperidin-2-yl)methyl]ethanamine has a molecular weight of 222.33 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-[(3-methylpiperidin-2-yl)methyl]ethanamine is sourced from PubChem (CID 107069094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).