N-[[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)imidazol-4-yl]methyl]-2-methoxyethanamine

C15H26N4O — CID 66150519

IUPACN-[[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)imidazol-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cncn1C1CCN2CCCCC12
InChIInChI=1S/C15H26N4O/c1-20-9-6-16-10-13-11-17-12-19(13)15-5-8-18-7-3-2-4-14(15)18/h11-12,14-16H,2-10H2,1H3
InChIKeyABBGUNDMEAFKJU-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.42
Rot. Bonds6

About N-[[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)imidazol-4-yl]methyl]-2-methoxyethanamine

N-[[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)imidazol-4-yl]methyl]-2-methoxyethanamine (PubChem CID 66150519) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)imidazol-4-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)imidazol-4-yl]methyl]-2-methoxyethanamine
PubChem CID66150519
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-[[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)imidazol-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cncn1C1CCN2CCCCC12
InChIInChI=1S/C15H26N4O/c1-20-9-6-16-10-13-11-17-12-19(13)15-5-8-18-7-3-2-4-14(15)18/h11-12,14-16H,2-10H2,1H3
InChIKeyABBGUNDMEAFKJU-UHFFFAOYSA-N
XLogP1.42
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)imidazol-4-yl]methyl]-2-methoxyethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-N-[[3-(oxan-3-yl)imidazol-4-yl]methyl]ethanamine
CID 66152017
N-[[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66150941
2-methoxy-N-[[3-(oxolan-3-yl)imidazol-4-yl]methyl]ethanamine
CID 80714864
2-methoxy-N-[[3-(3,3,5,5-tetramethylcyclohexyl)imidazol-4-yl]methyl]ethanamine
CID 103968579
2-methoxy-N-[[3-(2-piperidin-1-ylethyl)imidazol-4-yl]methyl]ethanamine
CID 66151760
2-methoxy-N-[[3-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazol-4-yl]methyl]ethanamine
CID 66152200
N-[[3-(2-methylcyclohexyl)imidazol-4-yl]methyl]propan-1-amine
CID 66147546
2-[(3-cyclopropylimidazol-4-yl)methylamino]-N-(2-methoxyethyl)acetamide
CID 113405061
N-[(3-butan-2-ylimidazol-4-yl)methyl]-2-methoxyethanamine
CID 66148790
2-methoxy-N-[[3-(4-methylpentan-2-yl)imidazol-4-yl]methyl]ethanamine
CID 66148185
N-[[3-(1-methylpiperidin-3-yl)imidazol-4-yl]methyl]propan-1-amine
CID 66147577
N-[(3-cyclopropylimidazol-4-yl)methyl]prop-2-yn-1-amine
CID 66163065

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)imidazol-4-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)imidazol-4-yl]methyl]-2-methoxyethanamine (CID 66150519) is N-[[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)imidazol-4-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)imidazol-4-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)imidazol-4-yl]methyl]-2-methoxyethanamine is COCCNCc1cncn1C1CCN2CCCCC12.
What is the InChIKey of N-[[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)imidazol-4-yl]methyl]-2-methoxyethanamine?
The InChIKey is ABBGUNDMEAFKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-20-9-6-16-10-13-11-17-12-19(13)15-5-8-18-7-3-2-4-14(15)18/h11-12,14-16H,2-10H2,1H3.
What are the key properties of N-[[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)imidazol-4-yl]methyl]-2-methoxyethanamine?
N-[[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)imidazol-4-yl]methyl]-2-methoxyethanamine has a molecular weight of 278.40 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)imidazol-4-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 66150519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).