N-[3-(2,3-dihydroindol-1-yl)propyl]-1-azabicyclo[3.2.1]octan-4-amine

C18H27N3 — CID 105363806

IUPACN-[3-(2,3-dihydroindol-1-yl)propyl]-1-azabicyclo[3.2.1]octan-4-amine
SMILESc1ccc2c(c1)CCN2CCCNC1CCN2CCC1C2
InChIInChI=1S/C18H27N3/c1-2-5-18-15(4-1)7-13-21(18)10-3-9-19-17-8-12-20-11-6-16(17)14-20/h1-2,4-5,16-17,19H,3,6-14H2
InChIKeyVPWNPHHTQUOZHN-UHFFFAOYSA-N
MW285.43 g/mol
LogP2.12
Rot. Bonds5

About N-[3-(2,3-dihydroindol-1-yl)propyl]-1-azabicyclo[3.2.1]octan-4-amine

N-[3-(2,3-dihydroindol-1-yl)propyl]-1-azabicyclo[3.2.1]octan-4-amine (PubChem CID 105363806) has the molecular formula C18H27N3 and a molecular weight of 285.43 g/mol. Its IUPAC name is N-[3-(2,3-dihydroindol-1-yl)propyl]-1-azabicyclo[3.2.1]octan-4-amine.

Molecular Properties

Compound NameN-[3-(2,3-dihydroindol-1-yl)propyl]-1-azabicyclo[3.2.1]octan-4-amine
PubChem CID105363806
Molecular FormulaC18H27N3
Molecular Weight285.43 g/mol
Exact Mass285.22
IUPAC NameN-[3-(2,3-dihydroindol-1-yl)propyl]-1-azabicyclo[3.2.1]octan-4-amine
SMILESc1ccc2c(c1)CCN2CCCNC1CCN2CCC1C2
InChIInChI=1S/C18H27N3/c1-2-5-18-15(4-1)7-13-21(18)10-3-9-19-17-8-12-20-11-6-16(17)14-20/h1-2,4-5,16-17,19H,3,6-14H2
InChIKeyVPWNPHHTQUOZHN-UHFFFAOYSA-N
XLogP2.12
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydroindol-1-yl)propyl]-1-azabicyclo[3.2.1]octan-4-amine?
The IUPAC name of N-[3-(2,3-dihydroindol-1-yl)propyl]-1-azabicyclo[3.2.1]octan-4-amine (CID 105363806) is N-[3-(2,3-dihydroindol-1-yl)propyl]-1-azabicyclo[3.2.1]octan-4-amine.
What is the SMILES notation for N-[3-(2,3-dihydroindol-1-yl)propyl]-1-azabicyclo[3.2.1]octan-4-amine?
The canonical SMILES for N-[3-(2,3-dihydroindol-1-yl)propyl]-1-azabicyclo[3.2.1]octan-4-amine is c1ccc2c(c1)CCN2CCCNC1CCN2CCC1C2.
What is the InChIKey of N-[3-(2,3-dihydroindol-1-yl)propyl]-1-azabicyclo[3.2.1]octan-4-amine?
The InChIKey is VPWNPHHTQUOZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-2-5-18-15(4-1)7-13-21(18)10-3-9-19-17-8-12-20-11-6-16(17)14-20/h1-2,4-5,16-17,19H,3,6-14H2.
What are the key properties of N-[3-(2,3-dihydroindol-1-yl)propyl]-1-azabicyclo[3.2.1]octan-4-amine?
N-[3-(2,3-dihydroindol-1-yl)propyl]-1-azabicyclo[3.2.1]octan-4-amine has a molecular weight of 285.43 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dihydroindol-1-yl)propyl]-1-azabicyclo[3.2.1]octan-4-amine is sourced from PubChem (CID 105363806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).