N-[[4-[(3-ethoxypiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine

C17H28N2O2 — CID 62411045

IUPACN-[[4-[(3-ethoxypiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
SMILESCCOC1CCCN(Cc2cc(CNC3CC3)oc2C)C1
InChIInChI=1S/C17H28N2O2/c1-3-20-16-5-4-8-19(12-16)11-14-9-17(21-13(14)2)10-18-15-6-7-15/h9,15-16,18H,3-8,10-12H2,1-2H3
InChIKeyLZMVCXIQGSUGNA-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.84
Rot. Bonds7

About N-[[4-[(3-ethoxypiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine

N-[[4-[(3-ethoxypiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine (PubChem CID 62411045) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-[[4-[(3-ethoxypiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[(3-ethoxypiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
PubChem CID62411045
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-[[4-[(3-ethoxypiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
SMILESCCOC1CCCN(Cc2cc(CNC3CC3)oc2C)C1
InChIInChI=1S/C17H28N2O2/c1-3-20-16-5-4-8-19(12-16)11-14-9-17(21-13(14)2)10-18-15-6-7-15/h9,15-16,18H,3-8,10-12H2,1-2H3
InChIKeyLZMVCXIQGSUGNA-UHFFFAOYSA-N
XLogP2.84
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-[(3-ethoxypiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[5-methyl-4-[(3-propoxypiperidin-1-yl)methyl]furan-2-yl]methyl]ethanamine
CID 62411545
N-[[4-[(3-methoxypiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]ethanamine
CID 102968207
N-[[5-[(4-ethoxypiperidin-1-yl)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 62427817
N-[[5-methyl-4-[(4-methyl-1,4-diazepan-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62417298
N-[[2-methyl-5-[(3-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62437586
N-[[4-[(4-cyclopropylpiperazin-1-yl)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62412420
N-[[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 63163389
N-[[4-[(3-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
CID 62432159
N-[[5-methyl-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62436871
[5-[(3-ethoxypiperidin-1-yl)methyl]-3-methylfuran-2-yl]methanamine
CID 62411388
N-[[4-(methoxymethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62445621
N-[[5-methyl-4-(oxan-4-yloxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62441084

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-ethoxypiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[(3-ethoxypiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine (CID 62411045) is N-[[4-[(3-ethoxypiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[(3-ethoxypiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[(3-ethoxypiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine is CCOC1CCCN(Cc2cc(CNC3CC3)oc2C)C1.
What is the InChIKey of N-[[4-[(3-ethoxypiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine?
The InChIKey is LZMVCXIQGSUGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-3-20-16-5-4-8-19(12-16)11-14-9-17(21-13(14)2)10-18-15-6-7-15/h9,15-16,18H,3-8,10-12H2,1-2H3.
What are the key properties of N-[[4-[(3-ethoxypiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine?
N-[[4-[(3-ethoxypiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine has a molecular weight of 292.42 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-ethoxypiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62411045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).