(4-methylfuran-3-yl)-(3-methyloxolan-2-yl)methanamine

C11H17NO2 — CID 131145604

IUPAC(4-methylfuran-3-yl)-(3-methyloxolan-2-yl)methanamine
SMILESCc1cocc1C(N)C1OCCC1C
InChIInChI=1S/C11H17NO2/c1-7-3-4-14-11(7)10(12)9-6-13-5-8(9)2/h5-7,10-11H,3-4,12H2,1-2H3
InChIKeyJNUOMHXLKSLFPM-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.01
Rot. Bonds2

About (4-methylfuran-3-yl)-(3-methyloxolan-2-yl)methanamine

(4-methylfuran-3-yl)-(3-methyloxolan-2-yl)methanamine (PubChem CID 131145604) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is (4-methylfuran-3-yl)-(3-methyloxolan-2-yl)methanamine.

Molecular Properties

Compound Name(4-methylfuran-3-yl)-(3-methyloxolan-2-yl)methanamine
PubChem CID131145604
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name(4-methylfuran-3-yl)-(3-methyloxolan-2-yl)methanamine
SMILESCc1cocc1C(N)C1OCCC1C
InChIInChI=1S/C11H17NO2/c1-7-3-4-14-11(7)10(12)9-6-13-5-8(9)2/h5-7,10-11H,3-4,12H2,1-2H3
InChIKeyJNUOMHXLKSLFPM-UHFFFAOYSA-N
XLogP2.01
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxy-2,5-dimethylphenyl)-(3-methyloxolan-2-yl)methanamine
CID 105033003
(2-methoxy-3,4-dimethylphenyl)-(3-methyloxolan-2-yl)methanamine
CID 103435403
(2-chlorophenyl)-(3-methyloxolan-2-yl)methanamine
CID 115801779
(3-fluoro-5-methylphenyl)-(3-methyloxolan-2-yl)methanamine
CID 105016634
(2,6-difluorophenyl)-(3-methyloxolan-2-yl)methanamine
CID 115859971
(3,3-difluorocyclobutyl)-(4-methylfuran-3-yl)methanamine
CID 130847317
isoquinolin-5-yl-(3-methyloxolan-2-yl)methanamine
CID 115853236
3,4-dihydro-2H-chromen-8-yl-(3-methyloxolan-2-yl)methanamine
CID 105049301
(3-methyloxolan-2-yl)-naphthalen-2-ylmethanamine
CID 115851127
(3-methyloxolan-2-yl)-(2-methylphenyl)methanol
CID 114979278
(3,4-diethylphenyl)-(3-methyloxolan-2-yl)methanamine
CID 115481965
[(2,3-difluoro-4-methylphenyl)-(3-methyloxolan-2-yl)methyl]hydrazine
CID 107516672

Frequently Asked Questions

What is the IUPAC name of (4-methylfuran-3-yl)-(3-methyloxolan-2-yl)methanamine?
The IUPAC name of (4-methylfuran-3-yl)-(3-methyloxolan-2-yl)methanamine (CID 131145604) is (4-methylfuran-3-yl)-(3-methyloxolan-2-yl)methanamine.
What is the SMILES notation for (4-methylfuran-3-yl)-(3-methyloxolan-2-yl)methanamine?
The canonical SMILES for (4-methylfuran-3-yl)-(3-methyloxolan-2-yl)methanamine is Cc1cocc1C(N)C1OCCC1C.
What is the InChIKey of (4-methylfuran-3-yl)-(3-methyloxolan-2-yl)methanamine?
The InChIKey is JNUOMHXLKSLFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-7-3-4-14-11(7)10(12)9-6-13-5-8(9)2/h5-7,10-11H,3-4,12H2,1-2H3.
What are the key properties of (4-methylfuran-3-yl)-(3-methyloxolan-2-yl)methanamine?
(4-methylfuran-3-yl)-(3-methyloxolan-2-yl)methanamine has a molecular weight of 195.26 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylfuran-3-yl)-(3-methyloxolan-2-yl)methanamine is sourced from PubChem (CID 131145604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).