[5-(3-methylbutoxymethyl)furan-3-yl]methanamine

C11H19NO2 — CID 62444987

IUPAC[5-(3-methylbutoxymethyl)furan-3-yl]methanamine
SMILESCC(C)CCOCc1cc(CN)co1
InChIInChI=1S/C11H19NO2/c1-9(2)3-4-13-8-11-5-10(6-12)7-14-11/h5,7,9H,3-4,6,8,12H2,1-2H3
InChIKeyWRQAOWKYDRSBHD-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.30
Rot. Bonds6

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

[5-(3-methylbutoxymethyl)furan-3-yl]methanamine (PubChem CID 62444987) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is [5-(3-methylbutoxymethyl)furan-3-yl]methanamine.

Molecular Properties

Compound Name[5-(3-methylbutoxymethyl)furan-3-yl]methanamine
PubChem CID62444987
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name[5-(3-methylbutoxymethyl)furan-3-yl]methanamine
SMILESCC(C)CCOCc1cc(CN)co1
InChIInChI=1S/C11H19NO2/c1-9(2)3-4-13-8-11-5-10(6-12)7-14-11/h5,7,9H,3-4,6,8,12H2,1-2H3
InChIKeyWRQAOWKYDRSBHD-UHFFFAOYSA-N
XLogP2.30
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.30
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-[[4-(aminomethyl)furan-2-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 113325033
[5-(2-ethoxyethoxymethyl)furan-3-yl]methanamine
CID 62444313
[5-(butoxymethyl)furan-3-yl]methanamine
CID 62451528
N-[[4-(aminomethyl)furan-2-yl]methyl]-N,2-dimethylpropan-1-amine
CID 62422969
[5-(cyclopropylmethoxymethyl)furan-3-yl]methanamine
CID 62457457
N-[[4-(aminomethyl)furan-2-yl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 62421990
[5-methyl-4-(3-methylbutoxymethyl)furan-2-yl]methanamine
CID 62445155
[5-(oxetan-3-yloxymethyl)furan-3-yl]methanamine
CID 102608146
N-[[5-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]propan-2-amine
CID 66227292
[5-[(2,6-dimethoxyphenoxy)methyl]furan-3-yl]methanamine
CID 62449636
N-[[4-(aminomethyl)furan-2-yl]methyl]-2-ethoxy-N-methylethanamine
CID 81067939
[5-[(4-methylsulfanylphenoxy)methyl]furan-3-yl]methanamine
CID 63648763

Frequently Asked Questions

What is the IUPAC name of [5-(3-methylbutoxymethyl)furan-3-yl]methanamine?
The IUPAC name of [5-(3-methylbutoxymethyl)furan-3-yl]methanamine (CID 62444987) is [5-(3-methylbutoxymethyl)furan-3-yl]methanamine.
What is the SMILES notation for [5-(3-methylbutoxymethyl)furan-3-yl]methanamine?
The canonical SMILES for [5-(3-methylbutoxymethyl)furan-3-yl]methanamine is CC(C)CCOCc1cc(CN)co1.
What is the InChIKey of [5-(3-methylbutoxymethyl)furan-3-yl]methanamine?
The InChIKey is WRQAOWKYDRSBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-9(2)3-4-13-8-11-5-10(6-12)7-14-11/h5,7,9H,3-4,6,8,12H2,1-2H3.
What are the key properties of [5-(3-methylbutoxymethyl)furan-3-yl]methanamine?
[5-(3-methylbutoxymethyl)furan-3-yl]methanamine has a molecular weight of 197.28 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methylbutoxymethyl)furan-3-yl]methanamine is sourced from PubChem (CID 62444987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).