1-(2,3-dihydro-1H-inden-5-yl)-3-N,3-N,3-trimethylpentane-2,3-diamine

C17H28N2 — CID 79063497

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-3-N,3-N,3-trimethylpentane-2,3-diamine
SMILESCCC(C)(C(N)Cc1ccc2c(c1)CCC2)N(C)C
InChIInChI=1S/C17H28N2/c1-5-17(2,19(3)4)16(18)12-13-9-10-14-7-6-8-15(14)11-13/h9-11,16H,5-8,12,18H2,1-4H3
InChIKeyXEAAIQVYNWDMLZ-UHFFFAOYSA-N
MW260.42 g/mol
LogP2.78
Rot. Bonds5

About 1-(2,3-dihydro-1H-inden-5-yl)-3-N,3-N,3-trimethylpentane-2,3-diamine

1-(2,3-dihydro-1H-inden-5-yl)-3-N,3-N,3-trimethylpentane-2,3-diamine (PubChem CID 79063497) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-3-N,3-N,3-trimethylpentane-2,3-diamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-3-N,3-N,3-trimethylpentane-2,3-diamine
PubChem CID79063497
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-3-N,3-N,3-trimethylpentane-2,3-diamine
SMILESCCC(C)(C(N)Cc1ccc2c(c1)CCC2)N(C)C
InChIInChI=1S/C17H28N2/c1-5-17(2,19(3)4)16(18)12-13-9-10-14-7-6-8-15(14)11-13/h9-11,16H,5-8,12,18H2,1-4H3
InChIKeyXEAAIQVYNWDMLZ-UHFFFAOYSA-N
XLogP2.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-N,3-N,3-trimethylpentane-2,3-diamine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-N,3-N,3-trimethylpentane-2,3-diamine (CID 79063497) is 1-(2,3-dihydro-1H-inden-5-yl)-3-N,3-N,3-trimethylpentane-2,3-diamine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-3-N,3-N,3-trimethylpentane-2,3-diamine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-3-N,3-N,3-trimethylpentane-2,3-diamine is CCC(C)(C(N)Cc1ccc2c(c1)CCC2)N(C)C.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-3-N,3-N,3-trimethylpentane-2,3-diamine?
The InChIKey is XEAAIQVYNWDMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-5-17(2,19(3)4)16(18)12-13-9-10-14-7-6-8-15(14)11-13/h9-11,16H,5-8,12,18H2,1-4H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-3-N,3-N,3-trimethylpentane-2,3-diamine?
1-(2,3-dihydro-1H-inden-5-yl)-3-N,3-N,3-trimethylpentane-2,3-diamine has a molecular weight of 260.42 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-3-N,3-N,3-trimethylpentane-2,3-diamine is sourced from PubChem (CID 79063497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).