3-N-(3-fluorobutyl)-1-N,3-N-dimethylbutane-1,3-diamine

C10H23FN2 — CID 144812347

IUPAC3-N-(3-fluorobutyl)-1-N,3-N-dimethylbutane-1,3-diamine
SMILESCNCCC(C)N(C)CCC(C)F
InChIInChI=1S/C10H23FN2/c1-9(11)6-8-13(4)10(2)5-7-12-3/h9-10,12H,5-8H2,1-4H3
InChIKeyCIQXGZBZHKUYMZ-UHFFFAOYSA-N
MW190.31 g/mol
LogP1.66
Rot. Bonds7

About 3-N-(3-fluorobutyl)-1-N,3-N-dimethylbutane-1,3-diamine

3-N-(3-fluorobutyl)-1-N,3-N-dimethylbutane-1,3-diamine (PubChem CID 144812347) has the molecular formula C10H23FN2 and a molecular weight of 190.31 g/mol. Its IUPAC name is 3-N-(3-fluorobutyl)-1-N,3-N-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-(3-fluorobutyl)-1-N,3-N-dimethylbutane-1,3-diamine
PubChem CID144812347
Molecular FormulaC10H23FN2
Molecular Weight190.31 g/mol
Exact Mass190.18
IUPAC Name3-N-(3-fluorobutyl)-1-N,3-N-dimethylbutane-1,3-diamine
SMILESCNCCC(C)N(C)CCC(C)F
InChIInChI=1S/C10H23FN2/c1-9(11)6-8-13(4)10(2)5-7-12-3/h9-10,12H,5-8H2,1-4H3
InChIKeyCIQXGZBZHKUYMZ-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-N-(3-fluorobutyl)-1-N,3-N-dimethylbutane-1,3-diamine?
The IUPAC name of 3-N-(3-fluorobutyl)-1-N,3-N-dimethylbutane-1,3-diamine (CID 144812347) is 3-N-(3-fluorobutyl)-1-N,3-N-dimethylbutane-1,3-diamine.
What is the SMILES notation for 3-N-(3-fluorobutyl)-1-N,3-N-dimethylbutane-1,3-diamine?
The canonical SMILES for 3-N-(3-fluorobutyl)-1-N,3-N-dimethylbutane-1,3-diamine is CNCCC(C)N(C)CCC(C)F.
What is the InChIKey of 3-N-(3-fluorobutyl)-1-N,3-N-dimethylbutane-1,3-diamine?
The InChIKey is CIQXGZBZHKUYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23FN2/c1-9(11)6-8-13(4)10(2)5-7-12-3/h9-10,12H,5-8H2,1-4H3.
What are the key properties of 3-N-(3-fluorobutyl)-1-N,3-N-dimethylbutane-1,3-diamine?
3-N-(3-fluorobutyl)-1-N,3-N-dimethylbutane-1,3-diamine has a molecular weight of 190.31 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-fluorobutyl)-1-N,3-N-dimethylbutane-1,3-diamine is sourced from PubChem (CID 144812347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).