N-[2-(9-pyridin-2-yl-2,6-dioxaspiro[4.5]decan-9-yl)ethyl]-2,3-dihydro-1H-inden-1-amine

C24H30N2O2 — CID 155054118

IUPACN-[2-(9-pyridin-2-yl-2,6-dioxaspiro[4.5]decan-9-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESc1ccc(C2(CCNC3CCc4ccccc43)CCOC3(CCOC3)C2)nc1
InChIInChI=1S/C24H30N2O2/c1-2-6-20-19(5-1)8-9-21(20)25-14-10-23(22-7-3-4-13-26-22)11-16-28-24(17-23)12-15-27-18-24/h1-7,13,21,25H,8-12,14-18H2
InChIKeyRFYMOWQXDZDPJM-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.96
Rot. Bonds5

About N-[2-(9-pyridin-2-yl-2,6-dioxaspiro[4.5]decan-9-yl)ethyl]-2,3-dihydro-1H-inden-1-amine

N-[2-(9-pyridin-2-yl-2,6-dioxaspiro[4.5]decan-9-yl)ethyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 155054118) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-[2-(9-pyridin-2-yl-2,6-dioxaspiro[4.5]decan-9-yl)ethyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[2-(9-pyridin-2-yl-2,6-dioxaspiro[4.5]decan-9-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID155054118
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC NameN-[2-(9-pyridin-2-yl-2,6-dioxaspiro[4.5]decan-9-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESc1ccc(C2(CCNC3CCc4ccccc43)CCOC3(CCOC3)C2)nc1
InChIInChI=1S/C24H30N2O2/c1-2-6-20-19(5-1)8-9-21(20)25-14-10-23(22-7-3-4-13-26-22)11-16-28-24(17-23)12-15-27-18-24/h1-7,13,21,25H,8-12,14-18H2
InChIKeyRFYMOWQXDZDPJM-UHFFFAOYSA-N
XLogP3.96
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(9-pyridin-2-yl-2,6-dioxaspiro[4.5]decan-9-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[2-(9-pyridin-2-yl-2,6-dioxaspiro[4.5]decan-9-yl)ethyl]-2,3-dihydro-1H-inden-1-amine (CID 155054118) is N-[2-(9-pyridin-2-yl-2,6-dioxaspiro[4.5]decan-9-yl)ethyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[2-(9-pyridin-2-yl-2,6-dioxaspiro[4.5]decan-9-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[2-(9-pyridin-2-yl-2,6-dioxaspiro[4.5]decan-9-yl)ethyl]-2,3-dihydro-1H-inden-1-amine is c1ccc(C2(CCNC3CCc4ccccc43)CCOC3(CCOC3)C2)nc1.
What is the InChIKey of N-[2-(9-pyridin-2-yl-2,6-dioxaspiro[4.5]decan-9-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is RFYMOWQXDZDPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-2-6-20-19(5-1)8-9-21(20)25-14-10-23(22-7-3-4-13-26-22)11-16-28-24(17-23)12-15-27-18-24/h1-7,13,21,25H,8-12,14-18H2.
What are the key properties of N-[2-(9-pyridin-2-yl-2,6-dioxaspiro[4.5]decan-9-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
N-[2-(9-pyridin-2-yl-2,6-dioxaspiro[4.5]decan-9-yl)ethyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 378.52 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(9-pyridin-2-yl-2,6-dioxaspiro[4.5]decan-9-yl)ethyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 155054118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).