N-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]methyl]-2-methoxyethanamine

C16H25N3O — CID 115560699

IUPACN-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(N2CC3CCCC3C2)nc1
InChIInChI=1S/C16H25N3O/c1-20-8-7-17-9-13-5-6-16(18-10-13)19-11-14-3-2-4-15(14)12-19/h5-6,10,14-15,17H,2-4,7-9,11-12H2,1H3
InChIKeyMPILTXAYEGKRAG-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.05
Rot. Bonds6

About N-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]methyl]-2-methoxyethanamine

N-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]methyl]-2-methoxyethanamine (PubChem CID 115560699) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]methyl]-2-methoxyethanamine
PubChem CID115560699
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(N2CC3CCCC3C2)nc1
InChIInChI=1S/C16H25N3O/c1-20-8-7-17-9-13-5-6-16(18-10-13)19-11-14-3-2-4-15(14)12-19/h5-6,10,14-15,17H,2-4,7-9,11-12H2,1H3
InChIKeyMPILTXAYEGKRAG-UHFFFAOYSA-N
XLogP2.05
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]methyl]-2-methoxyethanamine with MolForge

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Related Compounds

1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]pyrrolidine-3,4-diol
CID 106670459
2-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]ethanamine
CID 80628704
N-[[6-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80636085
N-[[6-(1,3-dihydroisoindol-2-yl)-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80637880
2-methoxy-N-[[6-(2,2,6-trimethylmorpholin-4-yl)-3-pyridinyl]methyl]ethanamine
CID 80636499
1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 80631598
2-methoxy-N-[[6-(2-methylazepan-1-yl)-3-pyridinyl]methyl]ethanamine
CID 80635743
2-methoxy-N-[[6-(4-propylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 80631242
[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]methanol
CID 115560518
8-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 80638259
2-[4-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]piperazin-1-yl]ethanol
CID 80631144
[1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]piperidin-2-yl]methanol
CID 80629858

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]methyl]-2-methoxyethanamine (CID 115560699) is N-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]methyl]-2-methoxyethanamine is COCCNCc1ccc(N2CC3CCCC3C2)nc1.
What is the InChIKey of N-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]methyl]-2-methoxyethanamine?
The InChIKey is MPILTXAYEGKRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-20-8-7-17-9-13-5-6-16(18-10-13)19-11-14-3-2-4-15(14)12-19/h5-6,10,14-15,17H,2-4,7-9,11-12H2,1H3.
What are the key properties of N-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]methyl]-2-methoxyethanamine?
N-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]methyl]-2-methoxyethanamine has a molecular weight of 275.40 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 115560699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).