N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine

C29H30F2N4O — CID 59238939

IUPACN-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN1C2CCC1CC(NCCCOc1c3[nH]c4ccc(F)cc4c3cc3c1[nH]c1ccc(F)cc13)C2
InChIInChI=1S/C29H30F2N4O/c1-35-19-5-6-20(35)14-18(13-19)32-9-2-10-36-29-27-23(21-11-16(30)3-7-25(21)33-27)15-24-22-12-17(31)4-8-26(22)34-28(24)29/h3-4,7-8,11-12,15,18-20,32-34H,2,5-6,9-10,13-14H2,1H3
InChIKeyAZPMAJAHURDQKV-UHFFFAOYSA-N
MW488.58 g/mol
LogP6.22
Rot. Bonds6

About N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine

N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 59238939) has the molecular formula C29H30F2N4O and a molecular weight of 488.58 g/mol. Its IUPAC name is N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID59238939
Molecular FormulaC29H30F2N4O
Molecular Weight488.58 g/mol
Exact Mass488.24
IUPAC NameN-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN1C2CCC1CC(NCCCOc1c3[nH]c4ccc(F)cc4c3cc3c1[nH]c1ccc(F)cc13)C2
InChIInChI=1S/C29H30F2N4O/c1-35-19-5-6-20(35)14-18(13-19)32-9-2-10-36-29-27-23(21-11-16(30)3-7-25(21)33-27)15-24-22-12-17(31)4-8-26(22)34-28(24)29/h3-4,7-8,11-12,15,18-20,32-34H,2,5-6,9-10,13-14H2,1H3
InChIKeyAZPMAJAHURDQKV-UHFFFAOYSA-N
XLogP6.22
TPSA56.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.58
LogP ≤ 56.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 59238939) is N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine is CN1C2CCC1CC(NCCCOc1c3[nH]c4ccc(F)cc4c3cc3c1[nH]c1ccc(F)cc13)C2.
What is the InChIKey of N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is AZPMAJAHURDQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30F2N4O/c1-35-19-5-6-20(35)14-18(13-19)32-9-2-10-36-29-27-23(21-11-16(30)3-7-25(21)33-27)15-24-22-12-17(31)4-8-26(22)34-28(24)29/h3-4,7-8,11-12,15,18-20,32-34H,2,5-6,9-10,13-14H2,1H3.
What are the key properties of N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 488.58 g/mol, XLogP of 6.22, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 59238939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).