N-[2-(6-amino-3,7-dihydro-2H-inden-1-yl)ethyl]acetamide

C13H18N2O — CID 70204797

IUPACN-[2-(6-amino-3,7-dihydro-2H-inden-1-yl)ethyl]acetamide
SMILESCC(=O)NCCC1=C2CC(N)=CC=C2CC1
InChIInChI=1S/C13H18N2O/c1-9(16)15-7-6-11-3-2-10-4-5-12(14)8-13(10)11/h4-5H,2-3,6-8,14H2,1H3,(H,15,16)
InChIKeyWMFNVLUPLNJLJQ-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.78
Rot. Bonds3

About N-[2-(6-amino-3,7-dihydro-2H-inden-1-yl)ethyl]acetamide

N-[2-(6-amino-3,7-dihydro-2H-inden-1-yl)ethyl]acetamide (PubChem CID 70204797) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-[2-(6-amino-3,7-dihydro-2H-inden-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(6-amino-3,7-dihydro-2H-inden-1-yl)ethyl]acetamide
PubChem CID70204797
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-[2-(6-amino-3,7-dihydro-2H-inden-1-yl)ethyl]acetamide
SMILESCC(=O)NCCC1=C2CC(N)=CC=C2CC1
InChIInChI=1S/C13H18N2O/c1-9(16)15-7-6-11-3-2-10-4-5-12(14)8-13(10)11/h4-5H,2-3,6-8,14H2,1H3,(H,15,16)
InChIKeyWMFNVLUPLNJLJQ-UHFFFAOYSA-N
XLogP1.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-amino-3,7-dihydro-2H-inden-1-yl)ethyl]acetamide?
The IUPAC name of N-[2-(6-amino-3,7-dihydro-2H-inden-1-yl)ethyl]acetamide (CID 70204797) is N-[2-(6-amino-3,7-dihydro-2H-inden-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(6-amino-3,7-dihydro-2H-inden-1-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(6-amino-3,7-dihydro-2H-inden-1-yl)ethyl]acetamide is CC(=O)NCCC1=C2CC(N)=CC=C2CC1.
What is the InChIKey of N-[2-(6-amino-3,7-dihydro-2H-inden-1-yl)ethyl]acetamide?
The InChIKey is WMFNVLUPLNJLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9(16)15-7-6-11-3-2-10-4-5-12(14)8-13(10)11/h4-5H,2-3,6-8,14H2,1H3,(H,15,16).
What are the key properties of N-[2-(6-amino-3,7-dihydro-2H-inden-1-yl)ethyl]acetamide?
N-[2-(6-amino-3,7-dihydro-2H-inden-1-yl)ethyl]acetamide has a molecular weight of 218.30 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-amino-3,7-dihydro-2H-inden-1-yl)ethyl]acetamide is sourced from PubChem (CID 70204797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).