2-(3-methoxy-3-methylpiperidin-1-yl)-2-[5-(2-methylcyclopropyl)furan-2-yl]ethanamine

C17H28N2O2 — CID 107391309

IUPAC2-(3-methoxy-3-methylpiperidin-1-yl)-2-[5-(2-methylcyclopropyl)furan-2-yl]ethanamine
SMILESCOC1(C)CCCN(C(CN)c2ccc(C3CC3C)o2)C1
InChIInChI=1S/C17H28N2O2/c1-12-9-13(12)15-5-6-16(21-15)14(10-18)19-8-4-7-17(2,11-19)20-3/h5-6,12-14H,4,7-11,18H2,1-3H3
InChIKeyATRCCCMEPXESSO-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.90
Rot. Bonds5

About 2-(3-methoxy-3-methylpiperidin-1-yl)-2-[5-(2-methylcyclopropyl)furan-2-yl]ethanamine

2-(3-methoxy-3-methylpiperidin-1-yl)-2-[5-(2-methylcyclopropyl)furan-2-yl]ethanamine (PubChem CID 107391309) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-(3-methoxy-3-methylpiperidin-1-yl)-2-[5-(2-methylcyclopropyl)furan-2-yl]ethanamine.

Molecular Properties

Compound Name2-(3-methoxy-3-methylpiperidin-1-yl)-2-[5-(2-methylcyclopropyl)furan-2-yl]ethanamine
PubChem CID107391309
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-(3-methoxy-3-methylpiperidin-1-yl)-2-[5-(2-methylcyclopropyl)furan-2-yl]ethanamine
SMILESCOC1(C)CCCN(C(CN)c2ccc(C3CC3C)o2)C1
InChIInChI=1S/C17H28N2O2/c1-12-9-13(12)15-5-6-16(21-15)14(10-18)19-8-4-7-17(2,11-19)20-3/h5-6,12-14H,4,7-11,18H2,1-3H3
InChIKeyATRCCCMEPXESSO-UHFFFAOYSA-N
XLogP2.90
TPSA51.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethoxypyrrolidin-1-yl)-2-[5-(2-methylcyclopropyl)furan-2-yl]ethanamine
CID 103531861
2-(4-bromophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
CID 107390778
2-(3-methoxy-3-methylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanamine
CID 107390754
2-(3,5-dimethylphenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
CID 107391351
2-(5-chlorothiophen-2-yl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
CID 107390745
2-(3-methoxy-3-methylpiperidin-1-yl)-2-(3-methylthiophen-2-yl)ethanamine
CID 107390770
2-(2,4-dichlorophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
CID 107391282
2-(2-bromo-4-chlorophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
CID 107391346
2-cycloheptyl-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
CID 107391216
2-(3-methoxy-3-methylpiperidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine
CID 107391436
2-(3-methoxy-3-methylpiperidin-1-yl)-2-(5-methyloxolan-2-yl)ethanamine
CID 107391237
N-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 79304519

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-3-methylpiperidin-1-yl)-2-[5-(2-methylcyclopropyl)furan-2-yl]ethanamine?
The IUPAC name of 2-(3-methoxy-3-methylpiperidin-1-yl)-2-[5-(2-methylcyclopropyl)furan-2-yl]ethanamine (CID 107391309) is 2-(3-methoxy-3-methylpiperidin-1-yl)-2-[5-(2-methylcyclopropyl)furan-2-yl]ethanamine.
What is the SMILES notation for 2-(3-methoxy-3-methylpiperidin-1-yl)-2-[5-(2-methylcyclopropyl)furan-2-yl]ethanamine?
The canonical SMILES for 2-(3-methoxy-3-methylpiperidin-1-yl)-2-[5-(2-methylcyclopropyl)furan-2-yl]ethanamine is COC1(C)CCCN(C(CN)c2ccc(C3CC3C)o2)C1.
What is the InChIKey of 2-(3-methoxy-3-methylpiperidin-1-yl)-2-[5-(2-methylcyclopropyl)furan-2-yl]ethanamine?
The InChIKey is ATRCCCMEPXESSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-12-9-13(12)15-5-6-16(21-15)14(10-18)19-8-4-7-17(2,11-19)20-3/h5-6,12-14H,4,7-11,18H2,1-3H3.
What are the key properties of 2-(3-methoxy-3-methylpiperidin-1-yl)-2-[5-(2-methylcyclopropyl)furan-2-yl]ethanamine?
2-(3-methoxy-3-methylpiperidin-1-yl)-2-[5-(2-methylcyclopropyl)furan-2-yl]ethanamine has a molecular weight of 292.42 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-3-methylpiperidin-1-yl)-2-[5-(2-methylcyclopropyl)furan-2-yl]ethanamine is sourced from PubChem (CID 107391309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).