N-[[2-methyl-5-(2-methylpentoxymethyl)furan-3-yl]methyl]propan-1-amine

C16H29NO2 — CID 103285697

IUPACN-[[2-methyl-5-(2-methylpentoxymethyl)furan-3-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(COCC(C)CCC)oc1C
InChIInChI=1S/C16H29NO2/c1-5-7-13(3)11-18-12-16-9-15(14(4)19-16)10-17-8-6-2/h9,13,17H,5-8,10-12H2,1-4H3
InChIKeyOKCORPNUALFTGV-UHFFFAOYSA-N
MW267.41 g/mol
LogP4.04
Rot. Bonds10

About N-[[2-methyl-5-(2-methylpentoxymethyl)furan-3-yl]methyl]propan-1-amine

N-[[2-methyl-5-(2-methylpentoxymethyl)furan-3-yl]methyl]propan-1-amine (PubChem CID 103285697) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is N-[[2-methyl-5-(2-methylpentoxymethyl)furan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-methyl-5-(2-methylpentoxymethyl)furan-3-yl]methyl]propan-1-amine
PubChem CID103285697
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC NameN-[[2-methyl-5-(2-methylpentoxymethyl)furan-3-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(COCC(C)CCC)oc1C
InChIInChI=1S/C16H29NO2/c1-5-7-13(3)11-18-12-16-9-15(14(4)19-16)10-17-8-6-2/h9,13,17H,5-8,10-12H2,1-4H3
InChIKeyOKCORPNUALFTGV-UHFFFAOYSA-N
XLogP4.04
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 54.04
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-[[3-methyl-5-(2-methylpentoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 103285591
N-ethyl-1-methoxy-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]propan-2-amine
CID 62426691
N-[[2-methyl-5-(3-methylbutoxymethyl)furan-3-yl]methyl]ethanamine
CID 55077940
N,3-dimethyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]butan-2-amine
CID 55075046
N-[[5-(cyclohexyloxymethyl)-2-methylfuran-3-yl]methyl]propan-1-amine
CID 62445186
N-[[5-[(2,4-dimethylphenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-1-amine
CID 62454511
N-[[2-methyl-5-[(3-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine
CID 62453245
N-[[5-[(5-fluoro-2-methylphenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-1-amine
CID 102986614
N-[[2-methyl-5-[(6-methyl-3-pyridinyl)oxymethyl]furan-3-yl]methyl]propan-1-amine
CID 62441237
N-[[5-[(2-chlorophenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-1-amine
CID 62452838
N-[[5-[(2,3-dimethylphenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-1-amine
CID 62454363
N-[[2-methyl-5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 81068577

Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-5-(2-methylpentoxymethyl)furan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-methyl-5-(2-methylpentoxymethyl)furan-3-yl]methyl]propan-1-amine (CID 103285697) is N-[[2-methyl-5-(2-methylpentoxymethyl)furan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-methyl-5-(2-methylpentoxymethyl)furan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-methyl-5-(2-methylpentoxymethyl)furan-3-yl]methyl]propan-1-amine is CCCNCc1cc(COCC(C)CCC)oc1C.
What is the InChIKey of N-[[2-methyl-5-(2-methylpentoxymethyl)furan-3-yl]methyl]propan-1-amine?
The InChIKey is OKCORPNUALFTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-5-7-13(3)11-18-12-16-9-15(14(4)19-16)10-17-8-6-2/h9,13,17H,5-8,10-12H2,1-4H3.
What are the key properties of N-[[2-methyl-5-(2-methylpentoxymethyl)furan-3-yl]methyl]propan-1-amine?
N-[[2-methyl-5-(2-methylpentoxymethyl)furan-3-yl]methyl]propan-1-amine has a molecular weight of 267.41 g/mol, XLogP of 4.04, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-5-(2-methylpentoxymethyl)furan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 103285697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).