2-N-(2-fluoroethyl)-1-N,1-N,4-trimethylpentane-1,2-diamine

C10H23FN2 — CID 80695672

IUPAC2-N-(2-fluoroethyl)-1-N,1-N,4-trimethylpentane-1,2-diamine
SMILESCC(C)CC(CN(C)C)NCCF
InChIInChI=1S/C10H23FN2/c1-9(2)7-10(8-13(3)4)12-6-5-11/h9-10,12H,5-8H2,1-4H3
InChIKeyZBGQTVBLOHHGQF-UHFFFAOYSA-N
MW190.31 g/mol
LogP1.52
Rot. Bonds7

About 2-N-(2-fluoroethyl)-1-N,1-N,4-trimethylpentane-1,2-diamine

2-N-(2-fluoroethyl)-1-N,1-N,4-trimethylpentane-1,2-diamine (PubChem CID 80695672) has the molecular formula C10H23FN2 and a molecular weight of 190.31 g/mol. Its IUPAC name is 2-N-(2-fluoroethyl)-1-N,1-N,4-trimethylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-fluoroethyl)-1-N,1-N,4-trimethylpentane-1,2-diamine
PubChem CID80695672
Molecular FormulaC10H23FN2
Molecular Weight190.31 g/mol
Exact Mass190.18
IUPAC Name2-N-(2-fluoroethyl)-1-N,1-N,4-trimethylpentane-1,2-diamine
SMILESCC(C)CC(CN(C)C)NCCF
InChIInChI=1S/C10H23FN2/c1-9(2)7-10(8-13(3)4)12-6-5-11/h9-10,12H,5-8H2,1-4H3
InChIKeyZBGQTVBLOHHGQF-UHFFFAOYSA-N
XLogP1.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-fluoroethyl)-1-N,1-N,4-trimethylpentane-1,2-diamine?
The IUPAC name of 2-N-(2-fluoroethyl)-1-N,1-N,4-trimethylpentane-1,2-diamine (CID 80695672) is 2-N-(2-fluoroethyl)-1-N,1-N,4-trimethylpentane-1,2-diamine.
What is the SMILES notation for 2-N-(2-fluoroethyl)-1-N,1-N,4-trimethylpentane-1,2-diamine?
The canonical SMILES for 2-N-(2-fluoroethyl)-1-N,1-N,4-trimethylpentane-1,2-diamine is CC(C)CC(CN(C)C)NCCF.
What is the InChIKey of 2-N-(2-fluoroethyl)-1-N,1-N,4-trimethylpentane-1,2-diamine?
The InChIKey is ZBGQTVBLOHHGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23FN2/c1-9(2)7-10(8-13(3)4)12-6-5-11/h9-10,12H,5-8H2,1-4H3.
What are the key properties of 2-N-(2-fluoroethyl)-1-N,1-N,4-trimethylpentane-1,2-diamine?
2-N-(2-fluoroethyl)-1-N,1-N,4-trimethylpentane-1,2-diamine has a molecular weight of 190.31 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-fluoroethyl)-1-N,1-N,4-trimethylpentane-1,2-diamine is sourced from PubChem (CID 80695672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).