[2-(furan-3-yl)oxan-3-yl]methanamine

C10H15NO2 — CID 79367660

IUPAC[2-(furan-3-yl)oxan-3-yl]methanamine
SMILESNCC1CCCOC1c1ccoc1
InChIInChI=1S/C10H15NO2/c11-6-8-2-1-4-13-10(8)9-3-5-12-7-9/h3,5,7-8,10H,1-2,4,6,11H2
InChIKeyHEELNBVNKVNVTG-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.71
Rot. Bonds2

About [2-(furan-3-yl)oxan-3-yl]methanamine

[2-(furan-3-yl)oxan-3-yl]methanamine (PubChem CID 79367660) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is [2-(furan-3-yl)oxan-3-yl]methanamine.

Molecular Properties

Compound Name[2-(furan-3-yl)oxan-3-yl]methanamine
PubChem CID79367660
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name[2-(furan-3-yl)oxan-3-yl]methanamine
SMILESNCC1CCCOC1c1ccoc1
InChIInChI=1S/C10H15NO2/c11-6-8-2-1-4-13-10(8)9-3-5-12-7-9/h3,5,7-8,10H,1-2,4,6,11H2
InChIKeyHEELNBVNKVNVTG-UHFFFAOYSA-N
XLogP1.71
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S,3S)-2-phenyloxan-3-yl]methanamine
CID 51892912
[2-(3-cyclopropylphenyl)oxan-3-yl]methanamine
CID 79978587
[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]methanamine
CID 122164121
[2-(3-bromo-4-methylphenyl)oxan-3-yl]methanamine
CID 105411661
[2-(2,4,5-trimethylphenyl)oxan-3-yl]methanamine
CID 114078375
[2-(4-fluorophenyl)oxolan-3-yl]methanamine;hydrochloride
CID 122360291
(2-benzyloxan-3-yl)methanamine
CID 79367759
[2-(4-chlorothiophen-2-yl)oxan-3-yl]methanamine
CID 79427333
(2R,3S)-2-phenyloxan-3-amine
CID 131044940
[2-(4-bromo-5-methylthiophen-2-yl)oxan-3-yl]methanamine
CID 102844835
[2-(furan-3-ylmethoxymethyl)cyclopentyl]methanamine
CID 83172874
[2-(1-phenylethyl)oxan-3-yl]methanamine
CID 79368315

Frequently Asked Questions

What is the IUPAC name of [2-(furan-3-yl)oxan-3-yl]methanamine?
The IUPAC name of [2-(furan-3-yl)oxan-3-yl]methanamine (CID 79367660) is [2-(furan-3-yl)oxan-3-yl]methanamine.
What is the SMILES notation for [2-(furan-3-yl)oxan-3-yl]methanamine?
The canonical SMILES for [2-(furan-3-yl)oxan-3-yl]methanamine is NCC1CCCOC1c1ccoc1.
What is the InChIKey of [2-(furan-3-yl)oxan-3-yl]methanamine?
The InChIKey is HEELNBVNKVNVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c11-6-8-2-1-4-13-10(8)9-3-5-12-7-9/h3,5,7-8,10H,1-2,4,6,11H2.
What are the key properties of [2-(furan-3-yl)oxan-3-yl]methanamine?
[2-(furan-3-yl)oxan-3-yl]methanamine has a molecular weight of 181.24 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-3-yl)oxan-3-yl]methanamine is sourced from PubChem (CID 79367660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).