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

C13H23NO2 — CID 62451338

IUPACN-[[3-methyl-5-(propoxymethyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1oc(COCCC)cc1C
InChIInChI=1S/C13H23NO2/c1-4-6-14-9-13-11(3)8-12(16-13)10-15-7-5-2/h8,14H,4-7,9-10H2,1-3H3
InChIKeyXYUXNRXDAITAAK-UHFFFAOYSA-N
MW225.33 g/mol
LogP3.01
Rot. Bonds8

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

N-[[3-methyl-5-(propoxymethyl)furan-2-yl]methyl]propan-1-amine (PubChem CID 62451338) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N-[[3-methyl-5-(propoxymethyl)furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-methyl-5-(propoxymethyl)furan-2-yl]methyl]propan-1-amine
PubChem CID62451338
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN-[[3-methyl-5-(propoxymethyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1oc(COCCC)cc1C
InChIInChI=1S/C13H23NO2/c1-4-6-14-9-13-11(3)8-12(16-13)10-15-7-5-2/h8,14H,4-7,9-10H2,1-3H3
InChIKeyXYUXNRXDAITAAK-UHFFFAOYSA-N
XLogP3.01
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.01
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-propan-2-yloxyethoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62457294
N-[[3-methyl-5-(2-methylpentoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 103285591
N-[[5-(2-ethoxyethoxymethyl)-3-methylfuran-2-yl]methyl]ethanamine
CID 62444712
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]ethanamine
CID 106449758
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-[[5-[(2-chloro-4-methylphenoxy)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine
CID 63495955
N-[[3-methyl-5-(2-pyrrolidin-1-ylethoxymethyl)furan-2-yl]methyl]ethanamine
CID 62460388
N-[[3-methyl-5-(2-piperidin-1-ylethoxymethyl)furan-2-yl]methyl]ethanamine
CID 62458800
1-[5-(ethoxymethyl)-3-methylfuran-2-yl]-N-methylmethanamine
CID 62445061
N,2-dimethyl-N-[[4-methyl-5-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine
CID 62420927

Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-5-(propoxymethyl)furan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-methyl-5-(propoxymethyl)furan-2-yl]methyl]propan-1-amine (CID 62451338) is N-[[3-methyl-5-(propoxymethyl)furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-methyl-5-(propoxymethyl)furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-methyl-5-(propoxymethyl)furan-2-yl]methyl]propan-1-amine is CCCNCc1oc(COCCC)cc1C.
What is the InChIKey of N-[[3-methyl-5-(propoxymethyl)furan-2-yl]methyl]propan-1-amine?
The InChIKey is XYUXNRXDAITAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-4-6-14-9-13-11(3)8-12(16-13)10-15-7-5-2/h8,14H,4-7,9-10H2,1-3H3.
What are the key properties of N-[[3-methyl-5-(propoxymethyl)furan-2-yl]methyl]propan-1-amine?
N-[[3-methyl-5-(propoxymethyl)furan-2-yl]methyl]propan-1-amine has a molecular weight of 225.33 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-5-(propoxymethyl)furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62451338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).