N-[[5-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]propan-2-amine

C15H27NO2 — CID 66227292

IUPACN-[[5-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1coc(COCCC(C)(C)C)c1
InChIInChI=1S/C15H27NO2/c1-12(2)16-9-13-8-14(18-10-13)11-17-7-6-15(3,4)5/h8,10,12,16H,6-7,9,11H2,1-5H3
InChIKeyVZPRONRTQCPFKY-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.73
Rot. Bonds7

About N-[[5-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]propan-2-amine

N-[[5-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]propan-2-amine (PubChem CID 66227292) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[[5-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]propan-2-amine
PubChem CID66227292
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC NameN-[[5-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1coc(COCCC(C)(C)C)c1
InChIInChI=1S/C15H27NO2/c1-12(2)16-9-13-8-14(18-10-13)11-17-7-6-15(3,4)5/h8,10,12,16H,6-7,9,11H2,1-5H3
InChIKeyVZPRONRTQCPFKY-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
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-[[5-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]ethanamine
CID 66227074
N,N,2-trimethyl-1-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methoxy]propan-2-amine
CID 79679317
N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-3-yl]methyl]propan-2-amine
CID 66274882
N-[[5-(oxolan-2-ylmethoxymethyl)furan-3-yl]methyl]propan-2-amine
CID 55077843
N-[[5-(3-phenylprop-2-enoxymethyl)furan-3-yl]methyl]propan-2-amine
CID 76943780
N-[[5-[(2,4-dimethylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
CID 62454677
N-[[5-[2-(dimethylamino)ethoxymethyl]furan-3-yl]methyl]-2-methylpropan-2-amine
CID 55076989
N-[[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-3-yl]methyl]cyclopropanamine
CID 112589813
2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-3-yl]methyl]propan-2-amine
CID 66275969
N,2-dimethyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]propan-1-amine
CID 62420162
N-[[5-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 114460865
N-[[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 114540274

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]propan-2-amine (CID 66227292) is N-[[5-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]propan-2-amine is CC(C)NCc1coc(COCCC(C)(C)C)c1.
What is the InChIKey of N-[[5-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]propan-2-amine?
The InChIKey is VZPRONRTQCPFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-12(2)16-9-13-8-14(18-10-13)11-17-7-6-15(3,4)5/h8,10,12,16H,6-7,9,11H2,1-5H3.
What are the key properties of N-[[5-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]propan-2-amine?
N-[[5-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]propan-2-amine has a molecular weight of 253.39 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 66227292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).