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

C15H27NO2 — CID 62449718

IUPAC2-methyl-N-[[5-(pentoxymethyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCCCOCc1ccc(CNCC(C)C)o1
InChIInChI=1S/C15H27NO2/c1-4-5-6-9-17-12-15-8-7-14(18-15)11-16-10-13(2)3/h7-8,13,16H,4-6,9-12H2,1-3H3
InChIKeyXTDZGKSIZZSFDW-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.73
Rot. Bonds10

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

2-methyl-N-[[5-(pentoxymethyl)furan-2-yl]methyl]propan-1-amine (PubChem CID 62449718) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-methyl-N-[[5-(pentoxymethyl)furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-(pentoxymethyl)furan-2-yl]methyl]propan-1-amine
PubChem CID62449718
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name2-methyl-N-[[5-(pentoxymethyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCCCOCc1ccc(CNCC(C)C)o1
InChIInChI=1S/C15H27NO2/c1-4-5-6-9-17-12-15-8-7-14(18-15)11-16-10-13(2)3/h7-8,13,16H,4-6,9-12H2,1-3H3
InChIKeyXTDZGKSIZZSFDW-UHFFFAOYSA-N
XLogP3.73
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.73
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

2-methyl-N-[[5-(pent-4-enoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 79114107
N-[[5-(octadecoxymethyl)furan-2-yl]methyl]-1-phenylmethanamine
CID 130327903
N-[[4-(heptoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 63490736
2-methyl-N-[[5-(octoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62455149
N-[[4-(hexoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 63492309
N-[[5-(hexoxymethyl)thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107558203
2-methyl-N-[[5-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 55073203
N-[[5-(hexoxymethyl)furan-2-yl]methyl]-2-methylpropan-2-amine
CID 62457603
2-methyl-N-[[3-(pentoxymethyl)phenyl]methyl]propan-1-amine
CID 62451172
N-[[5-(2-propan-2-yloxyethoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 55077409
N-[[5-[3-(2-methoxyethoxy)propoxymethyl]furan-2-yl]methyl]propan-1-amine
CID 103401729
2-methyl-5-(octoxymethyl)furan
CID 21314380

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(pentoxymethyl)furan-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[5-(pentoxymethyl)furan-2-yl]methyl]propan-1-amine (CID 62449718) is 2-methyl-N-[[5-(pentoxymethyl)furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[5-(pentoxymethyl)furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[5-(pentoxymethyl)furan-2-yl]methyl]propan-1-amine is CCCCCOCc1ccc(CNCC(C)C)o1.
What is the InChIKey of 2-methyl-N-[[5-(pentoxymethyl)furan-2-yl]methyl]propan-1-amine?
The InChIKey is XTDZGKSIZZSFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-4-5-6-9-17-12-15-8-7-14(18-15)11-16-10-13(2)3/h7-8,13,16H,4-6,9-12H2,1-3H3.
What are the key properties of 2-methyl-N-[[5-(pentoxymethyl)furan-2-yl]methyl]propan-1-amine?
2-methyl-N-[[5-(pentoxymethyl)furan-2-yl]methyl]propan-1-amine has a molecular weight of 253.39 g/mol, XLogP of 3.73, 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-(pentoxymethyl)furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62449718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).