1-[2-(3,3-dimethylbutoxymethyl)furan-3-yl]-N-methylmethanamine

C13H23NO2 — CID 66225474

IUPAC1-[2-(3,3-dimethylbutoxymethyl)furan-3-yl]-N-methylmethanamine
SMILESCNCc1ccoc1COCCC(C)(C)C
InChIInChI=1S/C13H23NO2/c1-13(2,3)6-8-15-10-12-11(9-14-4)5-7-16-12/h5,7,14H,6,8-10H2,1-4H3
InChIKeyDMPWMVYLYQCZER-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.95
Rot. Bonds6

About 1-[2-(3,3-dimethylbutoxymethyl)furan-3-yl]-N-methylmethanamine

1-[2-(3,3-dimethylbutoxymethyl)furan-3-yl]-N-methylmethanamine (PubChem CID 66225474) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-[2-(3,3-dimethylbutoxymethyl)furan-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3,3-dimethylbutoxymethyl)furan-3-yl]-N-methylmethanamine
PubChem CID66225474
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-[2-(3,3-dimethylbutoxymethyl)furan-3-yl]-N-methylmethanamine
SMILESCNCc1ccoc1COCCC(C)(C)C
InChIInChI=1S/C13H23NO2/c1-13(2,3)6-8-15-10-12-11(9-14-4)5-7-16-12/h5,7,14H,6,8-10H2,1-4H3
InChIKeyDMPWMVYLYQCZER-UHFFFAOYSA-N
XLogP2.95
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.95
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-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 66226372
N-[[2-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine
CID 66225246
N,N-dimethyl-2-[[3-(methylaminomethyl)furan-2-yl]methoxy]ethanamine
CID 62458407
N-methyl-1-[2-(4-methylpentoxymethyl)furan-3-yl]methanamine
CID 62455304
N-methyl-1-[2-(3-methylbut-3-enoxymethyl)furan-3-yl]methanamine
CID 114470811
1-[2-(but-2-enoxymethyl)furan-3-yl]-N-methylmethanamine
CID 76943462
1-[2-(cyclopentylmethoxymethyl)furan-3-yl]-N-methylmethanamine
CID 66321220
1-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)furan-3-yl]-N-methylmethanamine
CID 102723192
1-[2-[(3,5-dimethylphenoxy)methyl]furan-3-yl]-N-methylmethanamine
CID 62452698
N-methyl-1-[2-(oxan-4-ylmethoxymethyl)furan-3-yl]methanamine
CID 55133858
N-[[2-(3-methoxypropoxymethyl)furan-3-yl]methyl]-2-methylpropan-2-amine
CID 62440911
[2-[(3-methoxy-3-methylbutoxy)methyl]furan-3-yl]methanamine
CID 106667874

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,3-dimethylbutoxymethyl)furan-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3,3-dimethylbutoxymethyl)furan-3-yl]-N-methylmethanamine (CID 66225474) is 1-[2-(3,3-dimethylbutoxymethyl)furan-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3,3-dimethylbutoxymethyl)furan-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3,3-dimethylbutoxymethyl)furan-3-yl]-N-methylmethanamine is CNCc1ccoc1COCCC(C)(C)C.
What is the InChIKey of 1-[2-(3,3-dimethylbutoxymethyl)furan-3-yl]-N-methylmethanamine?
The InChIKey is DMPWMVYLYQCZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-13(2,3)6-8-15-10-12-11(9-14-4)5-7-16-12/h5,7,14H,6,8-10H2,1-4H3.
What are the key properties of 1-[2-(3,3-dimethylbutoxymethyl)furan-3-yl]-N-methylmethanamine?
1-[2-(3,3-dimethylbutoxymethyl)furan-3-yl]-N-methylmethanamine has a molecular weight of 225.33 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,3-dimethylbutoxymethyl)furan-3-yl]-N-methylmethanamine is sourced from PubChem (CID 66225474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).