N-[[2-(2-pyrrolidin-1-ylethoxymethyl)furan-3-yl]methyl]propan-1-amine

C15H26N2O2 — CID 62458419

IUPACN-[[2-(2-pyrrolidin-1-ylethoxymethyl)furan-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccoc1COCCN1CCCC1
InChIInChI=1S/C15H26N2O2/c1-2-6-16-12-14-5-10-19-15(14)13-18-11-9-17-7-3-4-8-17/h5,10,16H,2-4,6-9,11-13H2,1H3
InChIKeyVHBQIQVHAIAVMI-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.39
Rot. Bonds9

About N-[[2-(2-pyrrolidin-1-ylethoxymethyl)furan-3-yl]methyl]propan-1-amine

N-[[2-(2-pyrrolidin-1-ylethoxymethyl)furan-3-yl]methyl]propan-1-amine (PubChem CID 62458419) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is N-[[2-(2-pyrrolidin-1-ylethoxymethyl)furan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-pyrrolidin-1-ylethoxymethyl)furan-3-yl]methyl]propan-1-amine
PubChem CID62458419
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC NameN-[[2-(2-pyrrolidin-1-ylethoxymethyl)furan-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccoc1COCCN1CCCC1
InChIInChI=1S/C15H26N2O2/c1-2-6-16-12-14-5-10-19-15(14)13-18-11-9-17-7-3-4-8-17/h5,10,16H,2-4,6-9,11-13H2,1H3
InChIKeyVHBQIQVHAIAVMI-UHFFFAOYSA-N
XLogP2.39
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.39
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-[[2-(2-pyrrolidin-1-ylethoxymethyl)furan-3-yl]methyl]propan-2-amine
CID 62458420
N-[[2-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 66226372
N-[[3-(piperidin-1-ylmethyl)furan-2-yl]methyl]propan-1-amine
CID 62424704
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-[[5-methyl-4-(2-piperidin-1-ylethoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 80719848
N-[[3-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]furan-2-yl]methyl]propan-1-amine
CID 62459353
N-[[2-(2-pyridin-2-ylethoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 62455387
N-[[2-(morpholin-4-ylmethyl)furan-3-yl]methyl]propan-1-amine
CID 62439019
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

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-pyrrolidin-1-ylethoxymethyl)furan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(2-pyrrolidin-1-ylethoxymethyl)furan-3-yl]methyl]propan-1-amine (CID 62458419) is N-[[2-(2-pyrrolidin-1-ylethoxymethyl)furan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(2-pyrrolidin-1-ylethoxymethyl)furan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(2-pyrrolidin-1-ylethoxymethyl)furan-3-yl]methyl]propan-1-amine is CCCNCc1ccoc1COCCN1CCCC1.
What is the InChIKey of N-[[2-(2-pyrrolidin-1-ylethoxymethyl)furan-3-yl]methyl]propan-1-amine?
The InChIKey is VHBQIQVHAIAVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-2-6-16-12-14-5-10-19-15(14)13-18-11-9-17-7-3-4-8-17/h5,10,16H,2-4,6-9,11-13H2,1H3.
What are the key properties of N-[[2-(2-pyrrolidin-1-ylethoxymethyl)furan-3-yl]methyl]propan-1-amine?
N-[[2-(2-pyrrolidin-1-ylethoxymethyl)furan-3-yl]methyl]propan-1-amine has a molecular weight of 266.38 g/mol, XLogP of 2.39, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-pyrrolidin-1-ylethoxymethyl)furan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62458419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).