[5-methyl-4-(3-methylbutoxymethyl)furan-2-yl]methanamine

C12H21NO2 — CID 62445155

IUPAC[5-methyl-4-(3-methylbutoxymethyl)furan-2-yl]methanamine
SMILESCc1oc(CN)cc1COCCC(C)C
InChIInChI=1S/C12H21NO2/c1-9(2)4-5-14-8-11-6-12(7-13)15-10(11)3/h6,9H,4-5,7-8,13H2,1-3H3
InChIKeyZOJHFJLWYZVRSC-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.61
Rot. Bonds6

About [5-methyl-4-(3-methylbutoxymethyl)furan-2-yl]methanamine

[5-methyl-4-(3-methylbutoxymethyl)furan-2-yl]methanamine (PubChem CID 62445155) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is [5-methyl-4-(3-methylbutoxymethyl)furan-2-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-4-(3-methylbutoxymethyl)furan-2-yl]methanamine
PubChem CID62445155
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name[5-methyl-4-(3-methylbutoxymethyl)furan-2-yl]methanamine
SMILESCc1oc(CN)cc1COCCC(C)C
InChIInChI=1S/C12H21NO2/c1-9(2)4-5-14-8-11-6-12(7-13)15-10(11)3/h6,9H,4-5,7-8,13H2,1-3H3
InChIKeyZOJHFJLWYZVRSC-UHFFFAOYSA-N
XLogP2.61
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[5-(aminomethyl)-2-methylfuran-3-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 115505780
2-methyl-N-[[5-methyl-4-(3-methylbutoxymethyl)furan-2-yl]methyl]propan-2-amine
CID 62445177
3-[[5-(aminomethyl)-2-methylfuran-3-yl]methoxy]-N,N-dimethylpropan-1-amine
CID 62459344
2-[[5-(aminomethyl)-2-methylfuran-3-yl]methoxy]-N,N-diethylethanamine
CID 62459505
[4-(but-2-enoxymethyl)-5-methylfuran-2-yl]methanamine
CID 76943700
[5-methyl-4-(pent-4-enoxymethyl)furan-2-yl]methanamine
CID 79113292
[5-methyl-4-(prop-2-enoxymethyl)furan-2-yl]methanamine
CID 62442483
N-[[2-methyl-5-(3-methylbutoxymethyl)furan-3-yl]methyl]ethanamine
CID 55077940
[4-(1-ethoxypropan-2-yloxymethyl)-5-methylfuran-2-yl]methanamine
CID 103490685
N-[2-[[4-(aminomethyl)-5-methylfuran-2-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 115505825
[5-methyl-4-(oxan-4-ylmethoxymethyl)furan-2-yl]methanamine
CID 55075400
N-[[4-(2-ethoxyethoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 55072922

Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-(3-methylbutoxymethyl)furan-2-yl]methanamine?
The IUPAC name of [5-methyl-4-(3-methylbutoxymethyl)furan-2-yl]methanamine (CID 62445155) is [5-methyl-4-(3-methylbutoxymethyl)furan-2-yl]methanamine.
What is the SMILES notation for [5-methyl-4-(3-methylbutoxymethyl)furan-2-yl]methanamine?
The canonical SMILES for [5-methyl-4-(3-methylbutoxymethyl)furan-2-yl]methanamine is Cc1oc(CN)cc1COCCC(C)C.
What is the InChIKey of [5-methyl-4-(3-methylbutoxymethyl)furan-2-yl]methanamine?
The InChIKey is ZOJHFJLWYZVRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-9(2)4-5-14-8-11-6-12(7-13)15-10(11)3/h6,9H,4-5,7-8,13H2,1-3H3.
What are the key properties of [5-methyl-4-(3-methylbutoxymethyl)furan-2-yl]methanamine?
[5-methyl-4-(3-methylbutoxymethyl)furan-2-yl]methanamine has a molecular weight of 211.30 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-(3-methylbutoxymethyl)furan-2-yl]methanamine is sourced from PubChem (CID 62445155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).