N-[[2-(5-ethylfuran-2-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine

C15H25NO2 — CID 79364973

IUPACN-[[2-(5-ethylfuran-2-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCCc1ccc(C2OCCC2CNCC(C)C)o1
InChIInChI=1S/C15H25NO2/c1-4-13-5-6-14(18-13)15-12(7-8-17-15)10-16-9-11(2)3/h5-6,11-12,15-16H,4,7-10H2,1-3H3
InChIKeyBFZACUITSHRBGE-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.17
Rot. Bonds6

About N-[[2-(5-ethylfuran-2-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine

N-[[2-(5-ethylfuran-2-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 79364973) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[[2-(5-ethylfuran-2-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(5-ethylfuran-2-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID79364973
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-[[2-(5-ethylfuran-2-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCCc1ccc(C2OCCC2CNCC(C)C)o1
InChIInChI=1S/C15H25NO2/c1-4-13-5-6-14(18-13)15-12(7-8-17-15)10-16-9-11(2)3/h5-6,11-12,15-16H,4,7-10H2,1-3H3
InChIKeyBFZACUITSHRBGE-UHFFFAOYSA-N
XLogP3.17
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(5-ethylfuran-2-yl)oxolan-3-yl]-N-methylmethanamine
CID 79367853
N-[[2-(4,5-dibromofuran-2-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 79364794
N-[(5-ethylfuran-2-yl)methyl]-1-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanamine
CID 129000253
N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 113344558
2-(5-ethylfuran-2-yl)oxolane-3-carboxylic acid
CID 79367749
N-[[2-(4-bromo-2-fluorophenyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 79365705
N-[[2-(3-bromo-4-chlorophenyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 83241634
N-[[2-(4-methoxy-3-methylphenyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 79367996
N-[[2-(4-chlorophenyl)oxan-3-yl]methyl]-2-methylpropan-1-amine
CID 79364574
2-methyl-N-[[2-(4-methylpentan-2-yl)oxolan-3-yl]methyl]propan-1-amine
CID 114201269
N-[[2-(4-chloro-3-fluorophenyl)oxan-3-yl]methyl]-2-methylpropan-1-amine
CID 79365307
N-[[2-[3-(methoxymethyl)phenyl]oxan-3-yl]methyl]-2-methylpropan-1-amine
CID 79371187

Frequently Asked Questions

What is the IUPAC name of N-[[2-(5-ethylfuran-2-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(5-ethylfuran-2-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine (CID 79364973) is N-[[2-(5-ethylfuran-2-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(5-ethylfuran-2-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(5-ethylfuran-2-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine is CCc1ccc(C2OCCC2CNCC(C)C)o1.
What is the InChIKey of N-[[2-(5-ethylfuran-2-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is BFZACUITSHRBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-4-13-5-6-14(18-13)15-12(7-8-17-15)10-16-9-11(2)3/h5-6,11-12,15-16H,4,7-10H2,1-3H3.
What are the key properties of N-[[2-(5-ethylfuran-2-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine?
N-[[2-(5-ethylfuran-2-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5-ethylfuran-2-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 79364973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).