N-[[2-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]propan-1-amine

C15H27NO2 — CID 66226372

IUPACN-[[2-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccoc1COCCC(C)(C)C
InChIInChI=1S/C15H27NO2/c1-5-8-16-11-13-6-9-18-14(13)12-17-10-7-15(2,3)4/h6,9,16H,5,7-8,10-12H2,1-4H3
InChIKeyOQIMEUHRJZPXPK-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.73
Rot. Bonds8

About N-[[2-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]propan-1-amine

N-[[2-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]propan-1-amine (PubChem CID 66226372) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[[2-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]propan-1-amine
PubChem CID66226372
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC NameN-[[2-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccoc1COCCC(C)(C)C
InChIInChI=1S/C15H27NO2/c1-5-8-16-11-13-6-9-18-14(13)12-17-10-7-15(2,3)4/h6,9,16H,5,7-8,10-12H2,1-4H3
InChIKeyOQIMEUHRJZPXPK-UHFFFAOYSA-N
XLogP3.73
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

1-[2-(3,3-dimethylbutoxymethyl)furan-3-yl]-N-methylmethanamine
CID 66225474
N-[[2-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine
CID 66225246
N-[[2-(but-3-enoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 62442858
N-[[2-(pent-4-enoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 79113962
N-[[2-(2-pyrrolidin-1-ylethoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 62458419
N-[[2-(2-pyridin-2-ylethoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 62455387
N-[[3-(2-ethoxyethoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62444510
N-[[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]furan-3-yl]methyl]propan-1-amine
CID 62446087
N-[[2-(heptoxymethyl)furan-3-yl]methyl]ethanamine
CID 62455259
N-[[3-(octoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 63490926
N-[[2-[(3-chlorophenyl)methoxymethyl]furan-3-yl]methyl]propan-1-amine
CID 65125350
N-[[3-(3-methylbutoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62445527

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]propan-1-amine (CID 66226372) is N-[[2-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]propan-1-amine is CCCNCc1ccoc1COCCC(C)(C)C.
What is the InChIKey of N-[[2-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]propan-1-amine?
The InChIKey is OQIMEUHRJZPXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-5-8-16-11-13-6-9-18-14(13)12-17-10-7-15(2,3)4/h6,9,16H,5,7-8,10-12H2,1-4H3.
What are the key properties of N-[[2-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]propan-1-amine?
N-[[2-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]propan-1-amine has a molecular weight of 253.39 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 66226372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).