[5-methyl-4-(oxan-4-ylmethoxymethyl)furan-2-yl]methanamine

C13H21NO3 — CID 55075400

IUPAC[5-methyl-4-(oxan-4-ylmethoxymethyl)furan-2-yl]methanamine
SMILESCc1oc(CN)cc1COCC1CCOCC1
InChIInChI=1S/C13H21NO3/c1-10-12(6-13(7-14)17-10)9-16-8-11-2-4-15-5-3-11/h6,11H,2-5,7-9,14H2,1H3
InChIKeyAJVWCYCFHGWHGZ-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.99
Rot. Bonds5

About [5-methyl-4-(oxan-4-ylmethoxymethyl)furan-2-yl]methanamine

[5-methyl-4-(oxan-4-ylmethoxymethyl)furan-2-yl]methanamine (PubChem CID 55075400) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is [5-methyl-4-(oxan-4-ylmethoxymethyl)furan-2-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-4-(oxan-4-ylmethoxymethyl)furan-2-yl]methanamine
PubChem CID55075400
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name[5-methyl-4-(oxan-4-ylmethoxymethyl)furan-2-yl]methanamine
SMILESCc1oc(CN)cc1COCC1CCOCC1
InChIInChI=1S/C13H21NO3/c1-10-12(6-13(7-14)17-10)9-16-8-11-2-4-15-5-3-11/h6,11H,2-5,7-9,14H2,1H3
InChIKeyAJVWCYCFHGWHGZ-UHFFFAOYSA-N
XLogP1.99
TPSA57.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-methyl-4-(oxan-2-ylmethoxymethyl)furan-2-yl]methanamine
CID 62445276
2-methyl-N-[[2-methyl-5-(oxan-4-ylmethoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 62484927
[2-(oxan-4-ylmethoxymethyl)phenyl]methanamine
CID 62382964
[5-methyl-4-(prop-2-enoxymethyl)furan-2-yl]methanamine
CID 62442483
1-[5-(cyclopentylmethoxymethyl)-2-methylfuran-3-yl]-N-methylmethanamine
CID 66323991
N-[[4-(cyclopentylmethoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 66324001
3-[[5-(aminomethyl)-2-methylfuran-3-yl]methoxy]-N,N-dimethylpropan-1-amine
CID 62459344
[5-methyl-4-(3-methylbutoxymethyl)furan-2-yl]methanamine
CID 62445155
[4-(but-2-enoxymethyl)-5-methylfuran-2-yl]methanamine
CID 76943700
[5-methyl-4-(pent-4-enoxymethyl)furan-2-yl]methanamine
CID 79113292
N-[[5-(cyclopropylmethoxymethyl)-2-methylfuran-3-yl]methyl]ethanamine
CID 62457249
[4-[(3,5-dimethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methanamine
CID 64731019

Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-(oxan-4-ylmethoxymethyl)furan-2-yl]methanamine?
The IUPAC name of [5-methyl-4-(oxan-4-ylmethoxymethyl)furan-2-yl]methanamine (CID 55075400) is [5-methyl-4-(oxan-4-ylmethoxymethyl)furan-2-yl]methanamine.
What is the SMILES notation for [5-methyl-4-(oxan-4-ylmethoxymethyl)furan-2-yl]methanamine?
The canonical SMILES for [5-methyl-4-(oxan-4-ylmethoxymethyl)furan-2-yl]methanamine is Cc1oc(CN)cc1COCC1CCOCC1.
What is the InChIKey of [5-methyl-4-(oxan-4-ylmethoxymethyl)furan-2-yl]methanamine?
The InChIKey is AJVWCYCFHGWHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-10-12(6-13(7-14)17-10)9-16-8-11-2-4-15-5-3-11/h6,11H,2-5,7-9,14H2,1H3.
What are the key properties of [5-methyl-4-(oxan-4-ylmethoxymethyl)furan-2-yl]methanamine?
[5-methyl-4-(oxan-4-ylmethoxymethyl)furan-2-yl]methanamine has a molecular weight of 239.31 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-(oxan-4-ylmethoxymethyl)furan-2-yl]methanamine is sourced from PubChem (CID 55075400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).