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

C15H27NO3 — CID 62457294

IUPACN-[[3-methyl-5-(2-propan-2-yloxyethoxymethyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1oc(COCCOC(C)C)cc1C
InChIInChI=1S/C15H27NO3/c1-5-6-16-10-15-13(4)9-14(19-15)11-17-7-8-18-12(2)3/h9,12,16H,5-8,10-11H2,1-4H3
InChIKeyNYLFESJFFYEHFS-UHFFFAOYSA-N
MW269.38 g/mol
LogP3.03
Rot. Bonds10

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

N-[[3-methyl-5-(2-propan-2-yloxyethoxymethyl)furan-2-yl]methyl]propan-1-amine (PubChem CID 62457294) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is N-[[3-methyl-5-(2-propan-2-yloxyethoxymethyl)furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-methyl-5-(2-propan-2-yloxyethoxymethyl)furan-2-yl]methyl]propan-1-amine
PubChem CID62457294
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC NameN-[[3-methyl-5-(2-propan-2-yloxyethoxymethyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1oc(COCCOC(C)C)cc1C
InChIInChI=1S/C15H27NO3/c1-5-6-16-10-15-13(4)9-14(19-15)11-17-7-8-18-12(2)3/h9,12,16H,5-8,10-11H2,1-4H3
InChIKeyNYLFESJFFYEHFS-UHFFFAOYSA-N
XLogP3.03
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.03
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-[[3-methyl-5-(propoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62451338
2-methyl-N-[[3-methyl-5-(2-propan-2-yloxyethoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62457691
N-[[3-methyl-5-(2-methylpentoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 103285591
N-[[5-(2-propan-2-yloxyethoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 55077409
N-[[3-methyl-5-[2-(2-methylpropoxy)ethoxymethyl]furan-2-yl]methyl]ethanamine
CID 106449758
N-[[5-(2-ethoxyethoxymethyl)-3-methylfuran-2-yl]methyl]ethanamine
CID 62444712
N-[[3-methyl-5-(4-methylpentoxymethyl)furan-2-yl]methyl]ethanamine
CID 62456796
2-methyl-N-[[3-methyl-5-(3-methylbutoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62445356
N-methyl-1-[2-methyl-5-(2-propan-2-yloxyethoxymethyl)furan-3-yl]methanamine
CID 62456148
N,2-dimethyl-N-[[4-methyl-5-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine
CID 62420927
N-[[5-[(2,5-dimethylphenoxy)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine
CID 62453045
N-[[3-methyl-5-[2-(2-methylpropoxy)ethoxymethyl]furan-2-yl]methyl]propan-2-amine
CID 106450107

Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-5-(2-propan-2-yloxyethoxymethyl)furan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-methyl-5-(2-propan-2-yloxyethoxymethyl)furan-2-yl]methyl]propan-1-amine (CID 62457294) is N-[[3-methyl-5-(2-propan-2-yloxyethoxymethyl)furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-methyl-5-(2-propan-2-yloxyethoxymethyl)furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-methyl-5-(2-propan-2-yloxyethoxymethyl)furan-2-yl]methyl]propan-1-amine is CCCNCc1oc(COCCOC(C)C)cc1C.
What is the InChIKey of N-[[3-methyl-5-(2-propan-2-yloxyethoxymethyl)furan-2-yl]methyl]propan-1-amine?
The InChIKey is NYLFESJFFYEHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-5-6-16-10-15-13(4)9-14(19-15)11-17-7-8-18-12(2)3/h9,12,16H,5-8,10-11H2,1-4H3.
What are the key properties of N-[[3-methyl-5-(2-propan-2-yloxyethoxymethyl)furan-2-yl]methyl]propan-1-amine?
N-[[3-methyl-5-(2-propan-2-yloxyethoxymethyl)furan-2-yl]methyl]propan-1-amine has a molecular weight of 269.38 g/mol, XLogP of 3.03, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-5-(2-propan-2-yloxyethoxymethyl)furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62457294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).