N-[4-(furan-2-yl)butan-2-yl]-6-(2-methoxyethoxy)pyridin-3-amine

C16H22N2O3 — CID 43688437

IUPACN-[4-(furan-2-yl)butan-2-yl]-6-(2-methoxyethoxy)pyridin-3-amine
SMILESCOCCOc1ccc(NC(C)CCc2ccco2)cn1
InChIInChI=1S/C16H22N2O3/c1-13(5-7-15-4-3-9-20-15)18-14-6-8-16(17-12-14)21-11-10-19-2/h3-4,6,8-9,12-13,18H,5,7,10-11H2,1-2H3
InChIKeyXUEHWUOZMOFQNV-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.13
Rot. Bonds9

About N-[4-(furan-2-yl)butan-2-yl]-6-(2-methoxyethoxy)pyridin-3-amine

N-[4-(furan-2-yl)butan-2-yl]-6-(2-methoxyethoxy)pyridin-3-amine (PubChem CID 43688437) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[4-(furan-2-yl)butan-2-yl]-6-(2-methoxyethoxy)pyridin-3-amine.

Molecular Properties

Compound NameN-[4-(furan-2-yl)butan-2-yl]-6-(2-methoxyethoxy)pyridin-3-amine
PubChem CID43688437
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[4-(furan-2-yl)butan-2-yl]-6-(2-methoxyethoxy)pyridin-3-amine
SMILESCOCCOc1ccc(NC(C)CCc2ccco2)cn1
InChIInChI=1S/C16H22N2O3/c1-13(5-7-15-4-3-9-20-15)18-14-6-8-16(17-12-14)21-11-10-19-2/h3-4,6,8-9,12-13,18H,5,7,10-11H2,1-2H3
InChIKeyXUEHWUOZMOFQNV-UHFFFAOYSA-N
XLogP3.13
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(furan-2-yl)-N-(2-methoxyethoxy)butan-2-amine
CID 82714632
6-(2-methoxyethoxy)-N-octan-2-ylpyridin-3-amine
CID 43688384
6-(2-methoxyethoxy)-N-(3-methylbutyl)pyridin-3-amine
CID 43688362
1-[4-[4-(furan-2-yl)butan-2-ylamino]phenyl]ethanone
CID 115576850
3-ethoxy-N-[4-(furan-2-yl)butan-2-yl]-4-methoxyaniline
CID 43729965
N-[4-(furan-2-yl)butan-2-yl]-4-propylaniline
CID 43478896
3-fluoro-N-[4-(furan-2-yl)butan-2-yl]-4-methoxyaniline
CID 43478969
5-[4-(furan-2-yl)butan-2-ylamino]-2-methoxyphenol
CID 43743871
2-(2-methoxyethyl)furan
CID 19010334
N-[4-(furan-2-yl)butan-2-yl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 62860172
2-[4-(furan-2-yl)butan-2-ylamino]-4-methoxybutan-1-ol
CID 114210422
4-[4-(furan-2-yl)butan-2-ylamino]benzenesulfonamide
CID 43478817

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-6-(2-methoxyethoxy)pyridin-3-amine?
The IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-6-(2-methoxyethoxy)pyridin-3-amine (CID 43688437) is N-[4-(furan-2-yl)butan-2-yl]-6-(2-methoxyethoxy)pyridin-3-amine.
What is the SMILES notation for N-[4-(furan-2-yl)butan-2-yl]-6-(2-methoxyethoxy)pyridin-3-amine?
The canonical SMILES for N-[4-(furan-2-yl)butan-2-yl]-6-(2-methoxyethoxy)pyridin-3-amine is COCCOc1ccc(NC(C)CCc2ccco2)cn1.
What is the InChIKey of N-[4-(furan-2-yl)butan-2-yl]-6-(2-methoxyethoxy)pyridin-3-amine?
The InChIKey is XUEHWUOZMOFQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-13(5-7-15-4-3-9-20-15)18-14-6-8-16(17-12-14)21-11-10-19-2/h3-4,6,8-9,12-13,18H,5,7,10-11H2,1-2H3.
What are the key properties of N-[4-(furan-2-yl)butan-2-yl]-6-(2-methoxyethoxy)pyridin-3-amine?
N-[4-(furan-2-yl)butan-2-yl]-6-(2-methoxyethoxy)pyridin-3-amine has a molecular weight of 290.36 g/mol, XLogP of 3.13, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)butan-2-yl]-6-(2-methoxyethoxy)pyridin-3-amine is sourced from PubChem (CID 43688437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).