3-ethyl-5-fluoro-N,3-dimethylhexan-1-amine

C10H22FN — CID 167073692

IUPAC3-ethyl-5-fluoro-N,3-dimethylhexan-1-amine
SMILESCCC(C)(CCNC)CC(C)F
InChIInChI=1S/C10H22FN/c1-5-10(3,6-7-12-4)8-9(2)11/h9,12H,5-8H2,1-4H3
InChIKeyDJVIDZLSXATTEV-UHFFFAOYSA-N
MW175.29 g/mol
LogP2.76
Rot. Bonds6

About 3-ethyl-5-fluoro-N,3-dimethylhexan-1-amine

3-ethyl-5-fluoro-N,3-dimethylhexan-1-amine (PubChem CID 167073692) has the molecular formula C10H22FN and a molecular weight of 175.29 g/mol. Its IUPAC name is 3-ethyl-5-fluoro-N,3-dimethylhexan-1-amine.

Molecular Properties

Compound Name3-ethyl-5-fluoro-N,3-dimethylhexan-1-amine
PubChem CID167073692
Molecular FormulaC10H22FN
Molecular Weight175.29 g/mol
Exact Mass175.17
IUPAC Name3-ethyl-5-fluoro-N,3-dimethylhexan-1-amine
SMILESCCC(C)(CCNC)CC(C)F
InChIInChI=1S/C10H22FN/c1-5-10(3,6-7-12-4)8-9(2)11/h9,12H,5-8H2,1-4H3
InChIKeyDJVIDZLSXATTEV-UHFFFAOYSA-N
XLogP2.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.29
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-fluoro-N,3-dimethylhexan-1-amine?
The IUPAC name of 3-ethyl-5-fluoro-N,3-dimethylhexan-1-amine (CID 167073692) is 3-ethyl-5-fluoro-N,3-dimethylhexan-1-amine.
What is the SMILES notation for 3-ethyl-5-fluoro-N,3-dimethylhexan-1-amine?
The canonical SMILES for 3-ethyl-5-fluoro-N,3-dimethylhexan-1-amine is CCC(C)(CCNC)CC(C)F.
What is the InChIKey of 3-ethyl-5-fluoro-N,3-dimethylhexan-1-amine?
The InChIKey is DJVIDZLSXATTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22FN/c1-5-10(3,6-7-12-4)8-9(2)11/h9,12H,5-8H2,1-4H3.
What are the key properties of 3-ethyl-5-fluoro-N,3-dimethylhexan-1-amine?
3-ethyl-5-fluoro-N,3-dimethylhexan-1-amine has a molecular weight of 175.29 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-fluoro-N,3-dimethylhexan-1-amine is sourced from PubChem (CID 167073692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).