N-[[4-(butoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine

C15H27NO2 — CID 55077622

IUPACN-[[4-(butoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
SMILESCCCCOCc1cc(CNC(C)(C)C)oc1C
InChIInChI=1S/C15H27NO2/c1-6-7-8-17-11-13-9-14(18-12(13)2)10-16-15(3,4)5/h9,16H,6-8,10-11H2,1-5H3
InChIKeyZBPPKSCTKUOWCP-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.79
Rot. Bonds7

About N-[[4-(butoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine

N-[[4-(butoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 55077622) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[[4-(butoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-(butoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID55077622
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC NameN-[[4-(butoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
SMILESCCCCOCc1cc(CNC(C)(C)C)oc1C
InChIInChI=1S/C15H27NO2/c1-6-7-8-17-11-13-9-14(18-12(13)2)10-16-15(3,4)5/h9,16H,6-8,10-11H2,1-5H3
InChIKeyZBPPKSCTKUOWCP-UHFFFAOYSA-N
XLogP3.79
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.79
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

2-methyl-N-[[5-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-2-yl]methyl]propan-2-amine
CID 115942837
2-methyl-N-[[5-methyl-4-(3-methylbutoxymethyl)furan-2-yl]methyl]propan-2-amine
CID 62445177
N-[[4-(cyclopentylmethoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 66324001
N-[[4-[(4-chlorophenoxy)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62453033
N-[[4-(heptoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 63490736
N-[[5-(ethoxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine
CID 62446188
N-[[5-(2-methoxyethoxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine
CID 62455984
2-methyl-N-[[5-methyl-4-(phenoxymethyl)furan-2-yl]methyl]propan-2-amine
CID 62454665
N-[[5-(2-butoxyethoxymethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62456393
N-[[5-(hexoxymethyl)furan-2-yl]methyl]-2-methylpropan-2-amine
CID 62457603
2-methyl-N-[[5-methyl-4-(pentoxymethyl)thiophen-2-yl]methyl]propan-2-amine
CID 80729172
N-[[4-[[2-ethoxyethyl(ethyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 63691429

Frequently Asked Questions

What is the IUPAC name of N-[[4-(butoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-(butoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine (CID 55077622) is N-[[4-(butoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-(butoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-(butoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine is CCCCOCc1cc(CNC(C)(C)C)oc1C.
What is the InChIKey of N-[[4-(butoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is ZBPPKSCTKUOWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-6-7-8-17-11-13-9-14(18-12(13)2)10-16-15(3,4)5/h9,16H,6-8,10-11H2,1-5H3.
What are the key properties of N-[[4-(butoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine?
N-[[4-(butoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 253.39 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(butoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 55077622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).