N,N-diethyl-5,6-dihydro-1H-inden-1-amine

C13H19N — CID 57245906

IUPACN,N-diethyl-5,6-dihydro-1H-inden-1-amine
SMILESCCN(CC)C1C=CC2=CCCC=C21
InChIInChI=1S/C13H19N/c1-3-14(4-2)13-10-9-11-7-5-6-8-12(11)13/h7-10,13H,3-6H2,1-2H3
InChIKeyYWABDWXSOXMWJG-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.91
Rot. Bonds3

About N,N-diethyl-5,6-dihydro-1H-inden-1-amine

N,N-diethyl-5,6-dihydro-1H-inden-1-amine (PubChem CID 57245906) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is N,N-diethyl-5,6-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN,N-diethyl-5,6-dihydro-1H-inden-1-amine
PubChem CID57245906
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC NameN,N-diethyl-5,6-dihydro-1H-inden-1-amine
SMILESCCN(CC)C1C=CC2=CCCC=C21
InChIInChI=1S/C13H19N/c1-3-14(4-2)13-10-9-11-7-5-6-8-12(11)13/h7-10,13H,3-6H2,1-2H3
InChIKeyYWABDWXSOXMWJG-UHFFFAOYSA-N
XLogP2.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5,6-dihydro-1H-inden-1-amine?
The IUPAC name of N,N-diethyl-5,6-dihydro-1H-inden-1-amine (CID 57245906) is N,N-diethyl-5,6-dihydro-1H-inden-1-amine.
What is the SMILES notation for N,N-diethyl-5,6-dihydro-1H-inden-1-amine?
The canonical SMILES for N,N-diethyl-5,6-dihydro-1H-inden-1-amine is CCN(CC)C1C=CC2=CCCC=C21.
What is the InChIKey of N,N-diethyl-5,6-dihydro-1H-inden-1-amine?
The InChIKey is YWABDWXSOXMWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-3-14(4-2)13-10-9-11-7-5-6-8-12(11)13/h7-10,13H,3-6H2,1-2H3.
What are the key properties of N,N-diethyl-5,6-dihydro-1H-inden-1-amine?
N,N-diethyl-5,6-dihydro-1H-inden-1-amine has a molecular weight of 189.30 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5,6-dihydro-1H-inden-1-amine is sourced from PubChem (CID 57245906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).