N-[(5-methylfuran-2-yl)methyl]-2-(oxan-2-yl)ethanamine

C13H21NO2 — CID 103992898

IUPACN-[(5-methylfuran-2-yl)methyl]-2-(oxan-2-yl)ethanamine
SMILESCc1ccc(CNCCC2CCCCO2)o1
InChIInChI=1S/C13H21NO2/c1-11-5-6-13(16-11)10-14-8-7-12-4-2-3-9-15-12/h5-6,12,14H,2-4,7-10H2,1H3
InChIKeyXKRAXYKZJMCXKS-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.64
Rot. Bonds5

About N-[(5-methylfuran-2-yl)methyl]-2-(oxan-2-yl)ethanamine

N-[(5-methylfuran-2-yl)methyl]-2-(oxan-2-yl)ethanamine (PubChem CID 103992898) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-2-(oxan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-2-(oxan-2-yl)ethanamine
PubChem CID103992898
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-2-(oxan-2-yl)ethanamine
SMILESCc1ccc(CNCCC2CCCCO2)o1
InChIInChI=1S/C13H21NO2/c1-11-5-6-13(16-11)10-14-8-7-12-4-2-3-9-15-12/h5-6,12,14H,2-4,7-10H2,1H3
InChIKeyXKRAXYKZJMCXKS-UHFFFAOYSA-N
XLogP2.64
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.64
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-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(oxan-2-yl)ethanamine
CID 103992949
N-[(5-methylfuran-2-yl)methyl]-1-(oxolan-2-yl)methanamine;oxalic acid
CID 17052973
N-[(4-ethylphenyl)methyl]-2-(oxan-2-yl)ethanamine
CID 113362830
N-[(3-methylfuran-2-yl)methyl]-2-(oxan-2-yl)ethanamine
CID 103992828
N-[(5-ethylthiophen-2-yl)methyl]-2-(oxan-2-yl)ethanamine
CID 113362826
5-[[2-(oxolan-2-yl)ethylamino]methyl]furan-2-carboxylic acid
CID 63317293
1-(5-methylfuran-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine
CID 113364696
N'-cyclopentyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 62523033
N-[(5-fluoro-2-methylphenyl)methyl]-2-(oxan-2-yl)ethanamine
CID 103992756
4-methyl-2-[[2-(oxan-2-yl)ethylamino]methyl]phenol
CID 103993059
N-ethyl-2-(oxan-2-yl)ethanamine
CID 62549165
N-[(5-methylfuran-2-yl)methyl]-4-(oxan-4-yl)butan-1-amine
CID 114191040

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-2-(oxan-2-yl)ethanamine?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-2-(oxan-2-yl)ethanamine (CID 103992898) is N-[(5-methylfuran-2-yl)methyl]-2-(oxan-2-yl)ethanamine.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-2-(oxan-2-yl)ethanamine?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-2-(oxan-2-yl)ethanamine is Cc1ccc(CNCCC2CCCCO2)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-2-(oxan-2-yl)ethanamine?
The InChIKey is XKRAXYKZJMCXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-11-5-6-13(16-11)10-14-8-7-12-4-2-3-9-15-12/h5-6,12,14H,2-4,7-10H2,1H3.
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-2-(oxan-2-yl)ethanamine?
N-[(5-methylfuran-2-yl)methyl]-2-(oxan-2-yl)ethanamine has a molecular weight of 223.32 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-2-(oxan-2-yl)ethanamine is sourced from PubChem (CID 103992898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).