2-methyl-N-[[5-(pent-4-enoxymethyl)furan-2-yl]methyl]propan-1-amine

C15H25NO2 — CID 79114107

IUPAC2-methyl-N-[[5-(pent-4-enoxymethyl)furan-2-yl]methyl]propan-1-amine
SMILESC=CCCCOCc1ccc(CNCC(C)C)o1
InChIInChI=1S/C15H25NO2/c1-4-5-6-9-17-12-15-8-7-14(18-15)11-16-10-13(2)3/h4,7-8,13,16H,1,5-6,9-12H2,2-3H3
InChIKeyMHWPYEFYKYXLGX-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.51
Rot. Bonds10

About 2-methyl-N-[[5-(pent-4-enoxymethyl)furan-2-yl]methyl]propan-1-amine

2-methyl-N-[[5-(pent-4-enoxymethyl)furan-2-yl]methyl]propan-1-amine (PubChem CID 79114107) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-methyl-N-[[5-(pent-4-enoxymethyl)furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-(pent-4-enoxymethyl)furan-2-yl]methyl]propan-1-amine
PubChem CID79114107
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-methyl-N-[[5-(pent-4-enoxymethyl)furan-2-yl]methyl]propan-1-amine
SMILESC=CCCCOCc1ccc(CNCC(C)C)o1
InChIInChI=1S/C15H25NO2/c1-4-5-6-9-17-12-15-8-7-14(18-15)11-16-10-13(2)3/h4,7-8,13,16H,1,5-6,9-12H2,2-3H3
InChIKeyMHWPYEFYKYXLGX-UHFFFAOYSA-N
XLogP3.51
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[[5-(pentoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62449718
1-[5-(but-3-enoxymethyl)furan-2-yl]-N-methylmethanamine
CID 62443034
2-methyl-N-[[5-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 55073203
2-methyl-N-[[4-(pent-4-enoxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 79113130
[5-(but-3-enoxymethyl)furan-2-yl]methanamine
CID 62440744
2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-yl]methyl]propan-1-amine
CID 66275553
2-methyl-N-[[5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-2-yl]methyl]propan-1-amine
CID 62455545
2-methyl-N-[[5-[(2-methylcyclohexyl)oxymethyl]furan-2-yl]methyl]propan-1-amine
CID 62443568
2-but-3-enoxy-N-[(5-ethylfuran-2-yl)methyl]ethanamine
CID 115770524
N-[[5-(3-methylbutoxymethyl)furan-2-yl]methyl]propan-2-amine
CID 62444595
2-methyl-N-[(6-methyl-4-pent-4-enoxy-3-pyridinyl)methyl]propan-1-amine
CID 81250974
N-methyl-1-[3-methyl-5-(pent-4-enoxymethyl)furan-2-yl]methanamine
CID 79113639

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(pent-4-enoxymethyl)furan-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[5-(pent-4-enoxymethyl)furan-2-yl]methyl]propan-1-amine (CID 79114107) is 2-methyl-N-[[5-(pent-4-enoxymethyl)furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[5-(pent-4-enoxymethyl)furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[5-(pent-4-enoxymethyl)furan-2-yl]methyl]propan-1-amine is C=CCCCOCc1ccc(CNCC(C)C)o1.
What is the InChIKey of 2-methyl-N-[[5-(pent-4-enoxymethyl)furan-2-yl]methyl]propan-1-amine?
The InChIKey is MHWPYEFYKYXLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-4-5-6-9-17-12-15-8-7-14(18-15)11-16-10-13(2)3/h4,7-8,13,16H,1,5-6,9-12H2,2-3H3.
What are the key properties of 2-methyl-N-[[5-(pent-4-enoxymethyl)furan-2-yl]methyl]propan-1-amine?
2-methyl-N-[[5-(pent-4-enoxymethyl)furan-2-yl]methyl]propan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 3.51, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(pent-4-enoxymethyl)furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 79114107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).