N-(2,2-diethoxyethyl)-1-(furan-2-yl)propan-2-amine

C13H23NO3 — CID 79547595

IUPACN-(2,2-diethoxyethyl)-1-(furan-2-yl)propan-2-amine
SMILESCCOC(CNC(C)Cc1ccco1)OCC
InChIInChI=1S/C13H23NO3/c1-4-15-13(16-5-2)10-14-11(3)9-12-7-6-8-17-12/h6-8,11,13-14H,4-5,9-10H2,1-3H3
InChIKeyIVRYTKFLJOJCCE-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.20
Rot. Bonds9

About N-(2,2-diethoxyethyl)-1-(furan-2-yl)propan-2-amine

N-(2,2-diethoxyethyl)-1-(furan-2-yl)propan-2-amine (PubChem CID 79547595) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-(2,2-diethoxyethyl)-1-(furan-2-yl)propan-2-amine.

Molecular Properties

Compound NameN-(2,2-diethoxyethyl)-1-(furan-2-yl)propan-2-amine
PubChem CID79547595
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC NameN-(2,2-diethoxyethyl)-1-(furan-2-yl)propan-2-amine
SMILESCCOC(CNC(C)Cc1ccco1)OCC
InChIInChI=1S/C13H23NO3/c1-4-15-13(16-5-2)10-14-11(3)9-12-7-6-8-17-12/h6-8,11,13-14H,4-5,9-10H2,1-3H3
InChIKeyIVRYTKFLJOJCCE-UHFFFAOYSA-N
XLogP2.20
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.20
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-[1-(furan-2-yl)propan-2-yl]-2,3-dimethylbutan-1-amine
CID 64568053
2,2-diethoxy-N-[(1S)-1-(furan-2-yl)ethyl]ethanamine
CID 81400852
N-(3-ethoxypropyl)-1-(furan-2-yl)propan-2-amine
CID 63099763
1-N-[1-(furan-2-yl)propan-2-yl]-4-methylpentane-1,2-diamine
CID 61470414
1-(furan-2-yl)-N-[1-(furan-2-yl)propan-2-yl]propan-2-amine
CID 55179966
3-[[1-(furan-2-yl)propan-2-ylamino]methyl]pentan-3-ol
CID 65108451
N-[[2-(ethoxymethyl)phenyl]methyl]-1-(furan-2-yl)propan-2-amine
CID 63085668
N-[2-(furan-2-ylmethoxy)propyl]butan-2-amine
CID 62564797
1-N-[1-(furan-2-yl)propan-2-yl]-5-methoxypentane-1,2-diamine
CID 81102507
N'-[1-(furan-2-yl)propan-2-yl]-N-methylbutane-1,4-diamine
CID 61470742
2-(2,2-dimethylpropyl)-N'-[1-(furan-2-yl)propan-2-yl]propane-1,3-diamine
CID 107473290
N-[(4-butoxyphenyl)methyl]-1-(furan-2-yl)propan-2-amine
CID 43432860

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethoxyethyl)-1-(furan-2-yl)propan-2-amine?
The IUPAC name of N-(2,2-diethoxyethyl)-1-(furan-2-yl)propan-2-amine (CID 79547595) is N-(2,2-diethoxyethyl)-1-(furan-2-yl)propan-2-amine.
What is the SMILES notation for N-(2,2-diethoxyethyl)-1-(furan-2-yl)propan-2-amine?
The canonical SMILES for N-(2,2-diethoxyethyl)-1-(furan-2-yl)propan-2-amine is CCOC(CNC(C)Cc1ccco1)OCC.
What is the InChIKey of N-(2,2-diethoxyethyl)-1-(furan-2-yl)propan-2-amine?
The InChIKey is IVRYTKFLJOJCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-4-15-13(16-5-2)10-14-11(3)9-12-7-6-8-17-12/h6-8,11,13-14H,4-5,9-10H2,1-3H3.
What are the key properties of N-(2,2-diethoxyethyl)-1-(furan-2-yl)propan-2-amine?
N-(2,2-diethoxyethyl)-1-(furan-2-yl)propan-2-amine has a molecular weight of 241.33 g/mol, XLogP of 2.20, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxyethyl)-1-(furan-2-yl)propan-2-amine is sourced from PubChem (CID 79547595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).