N-[[2-(but-2-enoxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine

C14H23NO2 — CID 76943491

IUPACN-[[2-(but-2-enoxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC=CCOCc1occc1CNCC(C)C
InChIInChI=1S/C14H23NO2/c1-4-5-7-16-11-14-13(6-8-17-14)10-15-9-12(2)3/h4-6,8,12,15H,7,9-11H2,1-3H3
InChIKeyNOGGUQSRJKNPKV-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.12
Rot. Bonds8

About N-[[2-(but-2-enoxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine

N-[[2-(but-2-enoxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 76943491) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is N-[[2-(but-2-enoxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(but-2-enoxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID76943491
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC NameN-[[2-(but-2-enoxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC=CCOCc1occc1CNCC(C)C
InChIInChI=1S/C14H23NO2/c1-4-5-7-16-11-14-13(6-8-17-14)10-15-9-12(2)3/h4-6,8,12,15H,7,9-11H2,1-3H3
InChIKeyNOGGUQSRJKNPKV-UHFFFAOYSA-N
XLogP3.12
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(but-2-enoxymethyl)furan-3-yl]-N-methylmethanamine
CID 76943462
2-methyl-N-[[2-[2-(2-methylpropoxy)ethoxymethyl]furan-3-yl]methyl]propan-1-amine
CID 106449856
2-methyl-N-[[2-(2,2,2-trifluoroethoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 62445215
2-methyl-N-[[3-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62441488
N-[[2-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine
CID 66225246
N-[[2-(cyclopentyloxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine
CID 62445760
2-methyl-N-[[2-[(4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine
CID 62451256
N-[[2-[[(E)-but-2-enoxy]methyl]-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114199171
N-[[2-(prop-2-enoxymethyl)furan-3-yl]methyl]propan-2-amine
CID 62442277
N-[[2-[(3-fluorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 62460473
2-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62445604
2-methyl-N-[[3-(4-methylpentoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62456618

Frequently Asked Questions

What is the IUPAC name of N-[[2-(but-2-enoxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(but-2-enoxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine (CID 76943491) is N-[[2-(but-2-enoxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(but-2-enoxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(but-2-enoxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine is CC=CCOCc1occc1CNCC(C)C.
What is the InChIKey of N-[[2-(but-2-enoxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is NOGGUQSRJKNPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-5-7-16-11-14-13(6-8-17-14)10-15-9-12(2)3/h4-6,8,12,15H,7,9-11H2,1-3H3.
What are the key properties of N-[[2-(but-2-enoxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine?
N-[[2-(but-2-enoxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 237.34 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(but-2-enoxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 76943491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).