N-methyl-1-[2-(3-methylbut-3-enoxymethyl)furan-3-yl]methanamine

C12H19NO2 — CID 114470811

IUPACN-methyl-1-[2-(3-methylbut-3-enoxymethyl)furan-3-yl]methanamine
SMILESC=C(C)CCOCc1occc1CNC
InChIInChI=1S/C12H19NO2/c1-10(2)4-6-14-9-12-11(8-13-3)5-7-15-12/h5,7,13H,1,4,6,8-9H2,2-3H3
InChIKeyZFDZFCUAVQBRAF-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.48
Rot. Bonds7

About N-methyl-1-[2-(3-methylbut-3-enoxymethyl)furan-3-yl]methanamine

N-methyl-1-[2-(3-methylbut-3-enoxymethyl)furan-3-yl]methanamine (PubChem CID 114470811) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is N-methyl-1-[2-(3-methylbut-3-enoxymethyl)furan-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(3-methylbut-3-enoxymethyl)furan-3-yl]methanamine
PubChem CID114470811
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC NameN-methyl-1-[2-(3-methylbut-3-enoxymethyl)furan-3-yl]methanamine
SMILESC=C(C)CCOCc1occc1CNC
InChIInChI=1S/C12H19NO2/c1-10(2)4-6-14-9-12-11(8-13-3)5-7-15-12/h5,7,13H,1,4,6,8-9H2,2-3H3
InChIKeyZFDZFCUAVQBRAF-UHFFFAOYSA-N
XLogP2.48
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.48
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

N,N-dimethyl-2-[[3-(methylaminomethyl)furan-2-yl]methoxy]ethanamine
CID 62458407
1-[2-(3,3-dimethylbutoxymethyl)furan-3-yl]-N-methylmethanamine
CID 66225474
N-methyl-1-[2-(4-methylpentoxymethyl)furan-3-yl]methanamine
CID 62455304
1-[2-(but-2-enoxymethyl)furan-3-yl]-N-methylmethanamine
CID 76943462
1-[2-(cyclopentylmethoxymethyl)furan-3-yl]-N-methylmethanamine
CID 66321220
N-methyl-1-[2-(oxan-4-ylmethoxymethyl)furan-3-yl]methanamine
CID 55133858
N-methyl-1-[2-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-3-yl]methanamine
CID 62455359
N-[[2-(heptoxymethyl)furan-3-yl]methyl]ethanamine
CID 62455259
N-[[2-(3-methoxypropoxymethyl)furan-3-yl]methyl]-2-methylpropan-2-amine
CID 62440911
2-methyl-N-[[2-[2-(2-methylpropoxy)ethoxymethyl]furan-3-yl]methyl]propan-1-amine
CID 106449856
1-[2-[(3,5-dimethylphenoxy)methyl]furan-3-yl]-N-methylmethanamine
CID 62452698
1-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)furan-3-yl]-N-methylmethanamine
CID 102723192

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(3-methylbut-3-enoxymethyl)furan-3-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(3-methylbut-3-enoxymethyl)furan-3-yl]methanamine (CID 114470811) is N-methyl-1-[2-(3-methylbut-3-enoxymethyl)furan-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(3-methylbut-3-enoxymethyl)furan-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(3-methylbut-3-enoxymethyl)furan-3-yl]methanamine is C=C(C)CCOCc1occc1CNC.
What is the InChIKey of N-methyl-1-[2-(3-methylbut-3-enoxymethyl)furan-3-yl]methanamine?
The InChIKey is ZFDZFCUAVQBRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-10(2)4-6-14-9-12-11(8-13-3)5-7-15-12/h5,7,13H,1,4,6,8-9H2,2-3H3.
What are the key properties of N-methyl-1-[2-(3-methylbut-3-enoxymethyl)furan-3-yl]methanamine?
N-methyl-1-[2-(3-methylbut-3-enoxymethyl)furan-3-yl]methanamine has a molecular weight of 209.29 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(3-methylbut-3-enoxymethyl)furan-3-yl]methanamine is sourced from PubChem (CID 114470811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).