N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-N',N',2,2-tetramethylpropane-1,3-diamine

C16H25ClN2 — CID 81300774

IUPACN-(5-chloro-2,3-dihydro-1H-inden-1-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
SMILESCN(C)CC(C)(C)CNC1CCc2cc(Cl)ccc21
InChIInChI=1S/C16H25ClN2/c1-16(2,11-19(3)4)10-18-15-8-5-12-9-13(17)6-7-14(12)15/h6-7,9,15,18H,5,8,10-11H2,1-4H3
InChIKeyNKGXDQPCXJXIGX-UHFFFAOYSA-N
MW280.84 g/mol
LogP3.50
Rot. Bonds5

About N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-N',N',2,2-tetramethylpropane-1,3-diamine

N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-N',N',2,2-tetramethylpropane-1,3-diamine (PubChem CID 81300774) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-N',N',2,2-tetramethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(5-chloro-2,3-dihydro-1H-inden-1-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
PubChem CID81300774
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC NameN-(5-chloro-2,3-dihydro-1H-inden-1-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
SMILESCN(C)CC(C)(C)CNC1CCc2cc(Cl)ccc21
InChIInChI=1S/C16H25ClN2/c1-16(2,11-19(3)4)10-18-15-8-5-12-9-13(17)6-7-14(12)15/h6-7,9,15,18H,5,8,10-11H2,1-4H3
InChIKeyNKGXDQPCXJXIGX-UHFFFAOYSA-N
XLogP3.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-N',N',2,2-tetramethylpropane-1,3-diamine?
The IUPAC name of N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-N',N',2,2-tetramethylpropane-1,3-diamine (CID 81300774) is N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-N',N',2,2-tetramethylpropane-1,3-diamine.
What is the SMILES notation for N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-N',N',2,2-tetramethylpropane-1,3-diamine?
The canonical SMILES for N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-N',N',2,2-tetramethylpropane-1,3-diamine is CN(C)CC(C)(C)CNC1CCc2cc(Cl)ccc21.
What is the InChIKey of N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-N',N',2,2-tetramethylpropane-1,3-diamine?
The InChIKey is NKGXDQPCXJXIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-16(2,11-19(3)4)10-18-15-8-5-12-9-13(17)6-7-14(12)15/h6-7,9,15,18H,5,8,10-11H2,1-4H3.
What are the key properties of N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-N',N',2,2-tetramethylpropane-1,3-diamine?
N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-N',N',2,2-tetramethylpropane-1,3-diamine has a molecular weight of 280.84 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-N',N',2,2-tetramethylpropane-1,3-diamine is sourced from PubChem (CID 81300774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).