N-[1-(oxolan-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine

C15H21NO — CID 43208516

IUPACN-[1-(oxolan-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESCC(NC1CCc2ccccc21)C1CCCO1
InChIInChI=1S/C15H21NO/c1-11(15-7-4-10-17-15)16-14-9-8-12-5-2-3-6-13(12)14/h2-3,5-6,11,14-16H,4,7-10H2,1H3
InChIKeyGTFPOGCXDPUAOL-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.83
Rot. Bonds3

About N-[1-(oxolan-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine

N-[1-(oxolan-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 43208516) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-[1-(oxolan-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[1-(oxolan-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID43208516
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-[1-(oxolan-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESCC(NC1CCc2ccccc21)C1CCCO1
InChIInChI=1S/C15H21NO/c1-11(15-7-4-10-17-15)16-14-9-8-12-5-2-3-6-13(12)14/h2-3,5-6,11,14-16H,4,7-10H2,1H3
InChIKeyGTFPOGCXDPUAOL-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[1-(oxolan-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine (CID 43208516) is N-[1-(oxolan-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[1-(oxolan-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[1-(oxolan-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine is CC(NC1CCc2ccccc21)C1CCCO1.
What is the InChIKey of N-[1-(oxolan-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is GTFPOGCXDPUAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-11(15-7-4-10-17-15)16-14-9-8-12-5-2-3-6-13(12)14/h2-3,5-6,11,14-16H,4,7-10H2,1H3.
What are the key properties of N-[1-(oxolan-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
N-[1-(oxolan-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 231.34 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 43208516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).