N'-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-N,N,2,2-tetramethylpropane-1,3-diamine

C16H25FN2 — CID 81302237

IUPACN'-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-N,N,2,2-tetramethylpropane-1,3-diamine
SMILESCN(C)CC(C)(C)CNC1CCc2c(F)cccc21
InChIInChI=1S/C16H25FN2/c1-16(2,11-19(3)4)10-18-15-9-8-12-13(15)6-5-7-14(12)17/h5-7,15,18H,8-11H2,1-4H3
InChIKeyVNDJTHQXQPBXAF-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.99
Rot. Bonds5

About N'-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-N,N,2,2-tetramethylpropane-1,3-diamine

N'-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-N,N,2,2-tetramethylpropane-1,3-diamine (PubChem CID 81302237) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N'-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-N,N,2,2-tetramethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-N,N,2,2-tetramethylpropane-1,3-diamine
PubChem CID81302237
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN'-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-N,N,2,2-tetramethylpropane-1,3-diamine
SMILESCN(C)CC(C)(C)CNC1CCc2c(F)cccc21
InChIInChI=1S/C16H25FN2/c1-16(2,11-19(3)4)10-18-15-9-8-12-13(15)6-5-7-14(12)17/h5-7,15,18H,8-11H2,1-4H3
InChIKeyVNDJTHQXQPBXAF-UHFFFAOYSA-N
XLogP2.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-N,N,2,2-tetramethylpropane-1,3-diamine?
The IUPAC name of N'-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-N,N,2,2-tetramethylpropane-1,3-diamine (CID 81302237) is N'-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-N,N,2,2-tetramethylpropane-1,3-diamine.
What is the SMILES notation for N'-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-N,N,2,2-tetramethylpropane-1,3-diamine?
The canonical SMILES for N'-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-N,N,2,2-tetramethylpropane-1,3-diamine is CN(C)CC(C)(C)CNC1CCc2c(F)cccc21.
What is the InChIKey of N'-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-N,N,2,2-tetramethylpropane-1,3-diamine?
The InChIKey is VNDJTHQXQPBXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-16(2,11-19(3)4)10-18-15-9-8-12-13(15)6-5-7-14(12)17/h5-7,15,18H,8-11H2,1-4H3.
What are the key properties of N'-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-N,N,2,2-tetramethylpropane-1,3-diamine?
N'-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-N,N,2,2-tetramethylpropane-1,3-diamine has a molecular weight of 264.39 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-N,N,2,2-tetramethylpropane-1,3-diamine is sourced from PubChem (CID 81302237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).