[2-methyl-5-(3-methylfuran-2-yl)oxolan-2-yl]methanamine

C11H17NO2 — CID 130583856

IUPAC[2-methyl-5-(3-methylfuran-2-yl)oxolan-2-yl]methanamine
SMILESCc1ccoc1C1CCC(C)(CN)O1
InChIInChI=1S/C11H17NO2/c1-8-4-6-13-10(8)9-3-5-11(2,7-12)14-9/h4,6,9H,3,5,7,12H2,1-2H3
InChIKeyGPZUVODMTZKDSJ-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.16
Rot. Bonds2

About [2-methyl-5-(3-methylfuran-2-yl)oxolan-2-yl]methanamine

[2-methyl-5-(3-methylfuran-2-yl)oxolan-2-yl]methanamine (PubChem CID 130583856) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is [2-methyl-5-(3-methylfuran-2-yl)oxolan-2-yl]methanamine.

Molecular Properties

Compound Name[2-methyl-5-(3-methylfuran-2-yl)oxolan-2-yl]methanamine
PubChem CID130583856
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name[2-methyl-5-(3-methylfuran-2-yl)oxolan-2-yl]methanamine
SMILESCc1ccoc1C1CCC(C)(CN)O1
InChIInChI=1S/C11H17NO2/c1-8-4-6-13-10(8)9-3-5-11(2,7-12)14-9/h4,6,9H,3,5,7,12H2,1-2H3
InChIKeyGPZUVODMTZKDSJ-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3-methylfuran-2-yl)pyrrolidine
CID 96733783
methylcyclopropane;(3-methylfuran-2-yl)methanamine
CID 142883661
6-amino-1-ethyl-7-(3-methylfuran-2-yl)azepan-2-one
CID 113489117
1-[2-(3-methylfuran-2-yl)ethyl]cyclopropan-1-amine
CID 105432794
2,2-dimethyl-N-[(3-methylfuran-2-yl)methyl]cyclohexan-1-amine
CID 115693333
[5-(2,2-dimethylpropyl)-5-methyloxolan-2-yl]methanamine
CID 131048430
N-[(1-methylcyclohexyl)methyl]-1-(3-methylfuran-2-yl)methanamine
CID 103753029
[4,4-dimethyl-1-[(2-methylphenyl)methyl]cyclohexyl]methanamine
CID 65390377
N-[(1-methylcyclopropyl)methyl]-1-(3-methylfuran-2-yl)methanamine
CID 103724331
2-bromo-5-[5-(iodomethyl)-5-methyloxolan-2-yl]furan
CID 130583392
2-(cyclopropylmethyl)-3-methylfuran
CID 54330779
[4,4-dimethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexyl]methanamine
CID 102901865

Frequently Asked Questions

What is the IUPAC name of [2-methyl-5-(3-methylfuran-2-yl)oxolan-2-yl]methanamine?
The IUPAC name of [2-methyl-5-(3-methylfuran-2-yl)oxolan-2-yl]methanamine (CID 130583856) is [2-methyl-5-(3-methylfuran-2-yl)oxolan-2-yl]methanamine.
What is the SMILES notation for [2-methyl-5-(3-methylfuran-2-yl)oxolan-2-yl]methanamine?
The canonical SMILES for [2-methyl-5-(3-methylfuran-2-yl)oxolan-2-yl]methanamine is Cc1ccoc1C1CCC(C)(CN)O1.
What is the InChIKey of [2-methyl-5-(3-methylfuran-2-yl)oxolan-2-yl]methanamine?
The InChIKey is GPZUVODMTZKDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-8-4-6-13-10(8)9-3-5-11(2,7-12)14-9/h4,6,9H,3,5,7,12H2,1-2H3.
What are the key properties of [2-methyl-5-(3-methylfuran-2-yl)oxolan-2-yl]methanamine?
[2-methyl-5-(3-methylfuran-2-yl)oxolan-2-yl]methanamine has a molecular weight of 195.26 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-5-(3-methylfuran-2-yl)oxolan-2-yl]methanamine is sourced from PubChem (CID 130583856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).