3,3-diethoxy-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine

C14H25NO3 — CID 81093076

IUPAC3,3-diethoxy-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine
SMILESCCOC(CCNC(C)c1ccc(C)o1)OCC
InChIInChI=1S/C14H25NO3/c1-5-16-14(17-6-2)9-10-15-12(4)13-8-7-11(3)18-13/h7-8,12,14-15H,5-6,9-10H2,1-4H3
InChIKeyPRLAJXLGJUCLIL-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.03
Rot. Bonds9

About 3,3-diethoxy-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine

3,3-diethoxy-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine (PubChem CID 81093076) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 3,3-diethoxy-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3,3-diethoxy-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine
PubChem CID81093076
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name3,3-diethoxy-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine
SMILESCCOC(CCNC(C)c1ccc(C)o1)OCC
InChIInChI=1S/C14H25NO3/c1-5-16-14(17-6-2)9-10-15-12(4)13-8-7-11(3)18-13/h7-8,12,14-15H,5-6,9-10H2,1-4H3
InChIKeyPRLAJXLGJUCLIL-UHFFFAOYSA-N
XLogP3.03
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethoxyethyl)-1-(5-methylfuran-2-yl)ethanamine
CID 43403764
2,2-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]ethanamine
CID 60815401
2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pentan-1-amine
CID 43684897
3,3-diethoxy-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81407847
3-ethylsulfonyl-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 65092779
N-[1-(5-methylfuran-2-yl)ethyl]prop-2-en-1-amine
CID 43177065
3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]but-3-en-1-amine
CID 114449148
N-[(1S)-1-(2-chlorophenyl)ethyl]-3,3-diethoxypropan-1-amine
CID 81378294
4,4,4-trifluoro-N-[1-(5-methylfuran-2-yl)ethyl]butan-1-amine
CID 81344002
(2R)-1-[[(1R)-1-(5-methylfuran-2-yl)ethyl]amino]propan-2-ol
CID 93082108
(2R)-1-[1-(5-methylfuran-2-yl)ethylamino]propan-2-ol
CID 103906700
N-(cyclobutylmethyl)-1-(5-methylfuran-2-yl)ethanamine
CID 43298426

Frequently Asked Questions

What is the IUPAC name of 3,3-diethoxy-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine?
The IUPAC name of 3,3-diethoxy-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine (CID 81093076) is 3,3-diethoxy-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for 3,3-diethoxy-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine?
The canonical SMILES for 3,3-diethoxy-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine is CCOC(CCNC(C)c1ccc(C)o1)OCC.
What is the InChIKey of 3,3-diethoxy-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine?
The InChIKey is PRLAJXLGJUCLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-5-16-14(17-6-2)9-10-15-12(4)13-8-7-11(3)18-13/h7-8,12,14-15H,5-6,9-10H2,1-4H3.
What are the key properties of 3,3-diethoxy-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine?
3,3-diethoxy-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine has a molecular weight of 255.36 g/mol, XLogP of 3.03, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethoxy-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 81093076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).