2-methoxy-N-[[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrol-3-yl]methyl]ethanamine

C17H28N2O2 — CID 102899619

IUPAC2-methoxy-N-[[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrol-3-yl]methyl]ethanamine
SMILESCOCCNCc1ccn(CC2CCC3(CCCC3)O2)c1
InChIInChI=1S/C17H28N2O2/c1-20-11-9-18-12-15-5-10-19(13-15)14-16-4-8-17(21-16)6-2-3-7-17/h5,10,13,16,18H,2-4,6-9,11-12,14H2,1H3
InChIKeyLSEZUFSXTZAEIO-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.72
Rot. Bonds7

About 2-methoxy-N-[[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrol-3-yl]methyl]ethanamine

2-methoxy-N-[[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrol-3-yl]methyl]ethanamine (PubChem CID 102899619) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrol-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrol-3-yl]methyl]ethanamine
PubChem CID102899619
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-methoxy-N-[[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrol-3-yl]methyl]ethanamine
SMILESCOCCNCc1ccn(CC2CCC3(CCCC3)O2)c1
InChIInChI=1S/C17H28N2O2/c1-20-11-9-18-12-15-5-10-19(13-15)14-16-4-8-17(21-16)6-2-3-7-17/h5,10,13,16,18H,2-4,6-9,11-12,14H2,1H3
InChIKeyLSEZUFSXTZAEIO-UHFFFAOYSA-N
XLogP2.72
TPSA35.42 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 ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[[1-[(4-methylmorpholin-2-yl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 79183159
1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrol-3-yl]butan-2-amine
CID 102900728
2-methoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102896547
2-methoxy-N-[[1-(3-methoxypropyl)pyrrol-3-yl]methyl]ethanamine
CID 66404198
N-[(1-butylpyrrol-3-yl)methyl]-2-methoxyethanamine
CID 66406021
1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrol-3-yl]butan-1-ol
CID 102899559
N-[(1-ethylpyrrol-3-yl)methyl]-2-(2-methoxyethoxy)ethanamine
CID 66415380
2-methoxy-N-[[1-(thiophen-2-ylmethyl)pyrrol-3-yl]methyl]ethanamine
CID 66407049
N-[[3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrazol-4-yl]methyl]propan-1-amine
CID 102901214
N-ethyl-2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazol-4-yl]ethanamine
CID 102900144
2-methoxy-N-[[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 66404206
N-(2-methoxyethyl)-2-(1-oxaspiro[4.5]decan-2-ylmethylamino)acetamide
CID 102897739

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrol-3-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrol-3-yl]methyl]ethanamine (CID 102899619) is 2-methoxy-N-[[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrol-3-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrol-3-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrol-3-yl]methyl]ethanamine is COCCNCc1ccn(CC2CCC3(CCCC3)O2)c1.
What is the InChIKey of 2-methoxy-N-[[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrol-3-yl]methyl]ethanamine?
The InChIKey is LSEZUFSXTZAEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-20-11-9-18-12-15-5-10-19(13-15)14-16-4-8-17(21-16)6-2-3-7-17/h5,10,13,16,18H,2-4,6-9,11-12,14H2,1H3.
What are the key properties of 2-methoxy-N-[[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrol-3-yl]methyl]ethanamine?
2-methoxy-N-[[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrol-3-yl]methyl]ethanamine has a molecular weight of 292.42 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrol-3-yl]methyl]ethanamine is sourced from PubChem (CID 102899619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).