N-[[5-[2-(dimethylamino)ethoxymethyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-1-amine

C15H28N2O2 — CID 62459116

IUPACN-[[5-[2-(dimethylamino)ethoxymethyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-1-amine
SMILESCc1oc(COCCN(C)C)cc1CNCC(C)C
InChIInChI=1S/C15H28N2O2/c1-12(2)9-16-10-14-8-15(19-13(14)3)11-18-7-6-17(4)5/h8,12,16H,6-7,9-11H2,1-5H3
InChIKeyUZIJMGIQXRVXKS-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.41
Rot. Bonds9

About N-[[5-[2-(dimethylamino)ethoxymethyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-1-amine

N-[[5-[2-(dimethylamino)ethoxymethyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62459116) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-[[5-[2-(dimethylamino)ethoxymethyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-[2-(dimethylamino)ethoxymethyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID62459116
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN-[[5-[2-(dimethylamino)ethoxymethyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-1-amine
SMILESCc1oc(COCCN(C)C)cc1CNCC(C)C
InChIInChI=1S/C15H28N2O2/c1-12(2)9-16-10-14-8-15(19-13(14)3)11-18-7-6-17(4)5/h8,12,16H,6-7,9-11H2,1-5H3
InChIKeyUZIJMGIQXRVXKS-UHFFFAOYSA-N
XLogP2.41
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-[3-(dimethylamino)propoxymethyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 62459346
2-methyl-N-[[2-methyl-5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-3-yl]methyl]propan-1-amine
CID 115942894
N-[[2-methyl-5-(3-methylbutoxymethyl)furan-3-yl]methyl]ethanamine
CID 55077940
N-[[5-[[3-methoxypropyl(methyl)amino]methyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-1-amine
CID 63008846
N-[[4-[[2-ethoxyethyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 81068266
N-[[4-(2-ethoxyethoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 55072922
2-methyl-N-[[2-methyl-5-(oxan-4-ylmethoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 62484927
2-methyl-N-[[2-methyl-5-[(4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine
CID 62451623
N-[[4-(heptoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 63490736
2-methyl-N-[[5-methyl-4-(propan-2-yloxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62455407
2-methyl-N-[[3-methyl-5-(3-methylbutoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62445356
N-[2-[[4-(aminomethyl)-5-methylfuran-2-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 115505825

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-(dimethylamino)ethoxymethyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-[2-(dimethylamino)ethoxymethyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-1-amine (CID 62459116) is N-[[5-[2-(dimethylamino)ethoxymethyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-[2-(dimethylamino)ethoxymethyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-[2-(dimethylamino)ethoxymethyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-1-amine is Cc1oc(COCCN(C)C)cc1CNCC(C)C.
What is the InChIKey of N-[[5-[2-(dimethylamino)ethoxymethyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is UZIJMGIQXRVXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-12(2)9-16-10-14-8-15(19-13(14)3)11-18-7-6-17(4)5/h8,12,16H,6-7,9-11H2,1-5H3.
What are the key properties of N-[[5-[2-(dimethylamino)ethoxymethyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-1-amine?
N-[[5-[2-(dimethylamino)ethoxymethyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 268.40 g/mol, XLogP of 2.41, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-(dimethylamino)ethoxymethyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62459116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).