N-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine

C18H27N3 — CID 62096006

IUPACN-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN1CCc2cc(CN(C)C3CC4CCC(C3)N4)ccc21
InChIInChI=1S/C18H27N3/c1-20-8-7-14-9-13(3-6-18(14)20)12-21(2)17-10-15-4-5-16(11-17)19-15/h3,6,9,15-17,19H,4-5,7-8,10-12H2,1-2H3
InChIKeyXSILGSSWCZDIGX-UHFFFAOYSA-N
MW285.44 g/mol
LogP2.39
Rot. Bonds3

About N-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine

N-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 62096006) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID62096006
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN1CCc2cc(CN(C)C3CC4CCC(C3)N4)ccc21
InChIInChI=1S/C18H27N3/c1-20-8-7-14-9-13(3-6-18(14)20)12-21(2)17-10-15-4-5-16(11-17)19-15/h3,6,9,15-17,19H,4-5,7-8,10-12H2,1-2H3
InChIKeyXSILGSSWCZDIGX-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
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-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (CID 62096006) is N-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is CN1CCc2cc(CN(C)C3CC4CCC(C3)N4)ccc21.
What is the InChIKey of N-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is XSILGSSWCZDIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-20-8-7-14-9-13(3-6-18(14)20)12-21(2)17-10-15-4-5-16(11-17)19-15/h3,6,9,15-17,19H,4-5,7-8,10-12H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
N-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 285.44 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 62096006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).