N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine

C15H21NO2 — CID 107386387

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCC1(C)OCC(CNC2CCc3ccccc32)O1
InChIInChI=1S/C15H21NO2/c1-15(2)17-10-12(18-15)9-16-14-8-7-11-5-3-4-6-13(11)14/h3-6,12,14,16H,7-10H2,1-2H3
InChIKeyGCPRKTCVMCWKNH-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.41
Rot. Bonds3

About N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 107386387) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID107386387
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCC1(C)OCC(CNC2CCc3ccccc32)O1
InChIInChI=1S/C15H21NO2/c1-15(2)17-10-12(18-15)9-16-14-8-7-11-5-3-4-6-13(11)14/h3-6,12,14,16H,7-10H2,1-2H3
InChIKeyGCPRKTCVMCWKNH-UHFFFAOYSA-N
XLogP2.41
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine (CID 107386387) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine is CC1(C)OCC(CNC2CCc3ccccc32)O1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is GCPRKTCVMCWKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-15(2)17-10-12(18-15)9-16-14-8-7-11-5-3-4-6-13(11)14/h3-6,12,14,16H,7-10H2,1-2H3.
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 247.34 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 107386387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).