N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine

C18H27N3 — CID 62095806

IUPACN-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESCN1CCc2cc(CNC3CCN4CCCCC34)ccc21
InChIInChI=1S/C18H27N3/c1-20-10-7-15-12-14(5-6-17(15)20)13-19-16-8-11-21-9-3-2-4-18(16)21/h5-6,12,16,18-19H,2-4,7-11,13H2,1H3
InChIKeyDKFQRCAFKAJJIM-UHFFFAOYSA-N
MW285.44 g/mol
LogP2.40
Rot. Bonds3

About N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine

N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (PubChem CID 62095806) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.

Molecular Properties

Compound NameN-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
PubChem CID62095806
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESCN1CCc2cc(CNC3CCN4CCCCC34)ccc21
InChIInChI=1S/C18H27N3/c1-20-10-7-15-12-14(5-6-17(15)20)13-19-16-8-11-21-9-3-2-4-18(16)21/h5-6,12,16,18-19H,2-4,7-11,13H2,1H3
InChIKeyDKFQRCAFKAJJIM-UHFFFAOYSA-N
XLogP2.40
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The IUPAC name of N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (CID 62095806) is N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.
What is the SMILES notation for N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The canonical SMILES for N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is CN1CCc2cc(CNC3CCN4CCCCC34)ccc21.
What is the InChIKey of N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The InChIKey is DKFQRCAFKAJJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-20-10-7-15-12-14(5-6-17(15)20)13-19-16-8-11-21-9-3-2-4-18(16)21/h5-6,12,16,18-19H,2-4,7-11,13H2,1H3.
What are the key properties of N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine has a molecular weight of 285.44 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is sourced from PubChem (CID 62095806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).