N-[2-(furan-2-yl)ethyl]-2,2-dimethoxyethanamine

C10H17NO3 — CID 63684806

IUPACN-[2-(furan-2-yl)ethyl]-2,2-dimethoxyethanamine
SMILESCOC(CNCCc1ccco1)OC
InChIInChI=1S/C10H17NO3/c1-12-10(13-2)8-11-6-5-9-4-3-7-14-9/h3-4,7,10-11H,5-6,8H2,1-2H3
InChIKeyIVGSUQGGCIFJRJ-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.03
Rot. Bonds7

About N-[2-(furan-2-yl)ethyl]-2,2-dimethoxyethanamine

N-[2-(furan-2-yl)ethyl]-2,2-dimethoxyethanamine (PubChem CID 63684806) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-2,2-dimethoxyethanamine.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-2,2-dimethoxyethanamine
PubChem CID63684806
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC NameN-[2-(furan-2-yl)ethyl]-2,2-dimethoxyethanamine
SMILESCOC(CNCCc1ccco1)OC
InChIInChI=1S/C10H17NO3/c1-12-10(13-2)8-11-6-5-9-4-3-7-14-9/h3-4,7,10-11H,5-6,8H2,1-2H3
InChIKeyIVGSUQGGCIFJRJ-UHFFFAOYSA-N
XLogP1.03
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(furan-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 65232705
1-N-[2-(furan-2-yl)ethyl]-4-methylpentane-1,2-diamine
CID 61470415
N-[2-(furan-2-yl)ethyl]-2-methylbutane-1,4-diamine
CID 80544345
1-[2-(furan-2-yl)ethylamino]-3-propan-2-yloxypropan-2-ol
CID 61024566
1-[2-(furan-2-yl)ethylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 54907244
2-(azetidin-3-yl)-N-[2-(furan-2-yl)ethyl]propan-1-amine
CID 116679693
N-(2-butoxyethyl)-2-(furan-2-yl)ethanamine
CID 61483217
1-N-[2-(furan-2-yl)ethyl]-2,2,3-trimethylbutane-1,3-diamine
CID 65266782
N'-tert-butyl-N-[2-(furan-2-yl)ethyl]ethane-1,2-diamine
CID 79256730
N-[(4-ethylphenyl)methyl]-2-(furan-2-yl)ethanamine
CID 43395380
methyl 2-[5-[[2-(furan-2-yl)ethylamino]methyl]thiophen-2-yl]acetate
CID 82894780
2-(furan-2-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 43395358

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-2,2-dimethoxyethanamine?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-2,2-dimethoxyethanamine (CID 63684806) is N-[2-(furan-2-yl)ethyl]-2,2-dimethoxyethanamine.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-2,2-dimethoxyethanamine?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-2,2-dimethoxyethanamine is COC(CNCCc1ccco1)OC.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-2,2-dimethoxyethanamine?
The InChIKey is IVGSUQGGCIFJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-12-10(13-2)8-11-6-5-9-4-3-7-14-9/h3-4,7,10-11H,5-6,8H2,1-2H3.
What are the key properties of N-[2-(furan-2-yl)ethyl]-2,2-dimethoxyethanamine?
N-[2-(furan-2-yl)ethyl]-2,2-dimethoxyethanamine has a molecular weight of 199.25 g/mol, XLogP of 1.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]-2,2-dimethoxyethanamine is sourced from PubChem (CID 63684806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).