N-[(5-methylfuran-2-yl)methyl]oxan-3-amine

C11H17NO2 — CID 63360041

IUPACN-[(5-methylfuran-2-yl)methyl]oxan-3-amine
SMILESCc1ccc(CNC2CCCOC2)o1
InChIInChI=1S/C11H17NO2/c1-9-4-5-11(14-9)7-12-10-3-2-6-13-8-10/h4-5,10,12H,2-3,6-8H2,1H3
InChIKeyDBQRYQMPXXLFAT-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.86
Rot. Bonds3

About N-[(5-methylfuran-2-yl)methyl]oxan-3-amine

N-[(5-methylfuran-2-yl)methyl]oxan-3-amine (PubChem CID 63360041) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]oxan-3-amine.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]oxan-3-amine
PubChem CID63360041
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC NameN-[(5-methylfuran-2-yl)methyl]oxan-3-amine
SMILESCc1ccc(CNC2CCCOC2)o1
InChIInChI=1S/C11H17NO2/c1-9-4-5-11(14-9)7-12-10-3-2-6-13-8-10/h4-5,10,12H,2-3,6-8H2,1H3
InChIKeyDBQRYQMPXXLFAT-UHFFFAOYSA-N
XLogP1.86
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(oxan-3-ylamino)methyl]furan-2-carboxylic acid
CID 63359979
9-methyl-N-[(5-methylfuran-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471793
N-[(5-methylfuran-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 55023953
N-[(4-methoxyphenyl)methyl]oxan-3-amine
CID 63360174
N-[(2,4,5-trimethylphenyl)methyl]oxan-3-amine
CID 55189666
N'-cyclopentyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 62523033
(3S,4R)-4-[(5-methylfuran-2-yl)methylamino]oxolan-3-ol
CID 94466425
3-ethyl-N-[(5-methylfuran-2-yl)methyl]cyclopentan-1-amine
CID 64500285
N-[(4-butoxyphenyl)methyl]oxan-3-amine
CID 63360097
4-[(5-methylfuran-2-yl)methylamino]cyclohexane-1-carboxamide
CID 43433249
N-[(1-methylpyrrol-2-yl)methyl]oxan-3-amine
CID 63360497
N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]oxan-3-amine
CID 122569432

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]oxan-3-amine?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]oxan-3-amine (CID 63360041) is N-[(5-methylfuran-2-yl)methyl]oxan-3-amine.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]oxan-3-amine?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]oxan-3-amine is Cc1ccc(CNC2CCCOC2)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]oxan-3-amine?
The InChIKey is DBQRYQMPXXLFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-9-4-5-11(14-9)7-12-10-3-2-6-13-8-10/h4-5,10,12H,2-3,6-8H2,1H3.
What are the key properties of N-[(5-methylfuran-2-yl)methyl]oxan-3-amine?
N-[(5-methylfuran-2-yl)methyl]oxan-3-amine has a molecular weight of 195.26 g/mol, XLogP of 1.86, 3 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]oxan-3-amine is sourced from PubChem (CID 63360041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).