(Z)-N-ethyl-7-fluoro-N,3-dimethyloct-6-en-4-amine

C12H24FN — CID 177053750

IUPAC(Z)-N-ethyl-7-fluoro-N,3-dimethyloct-6-en-4-amine
SMILESCCC(C)C(C/C=C(/C)F)N(C)CC
InChIInChI=1S/C12H24FN/c1-6-10(3)12(14(5)7-2)9-8-11(4)13/h8,10,12H,6-7,9H2,1-5H3/b11-8-
InChIKeyBWPVCIALBACPAF-FLIBITNWSA-N
MW201.33 g/mol
LogP3.62
Rot. Bonds6

About (Z)-N-ethyl-7-fluoro-N,3-dimethyloct-6-en-4-amine

(Z)-N-ethyl-7-fluoro-N,3-dimethyloct-6-en-4-amine (PubChem CID 177053750) has the molecular formula C12H24FN and a molecular weight of 201.33 g/mol. Its IUPAC name is (Z)-N-ethyl-7-fluoro-N,3-dimethyloct-6-en-4-amine.

Molecular Properties

Compound Name(Z)-N-ethyl-7-fluoro-N,3-dimethyloct-6-en-4-amine
PubChem CID177053750
Molecular FormulaC12H24FN
Molecular Weight201.33 g/mol
Exact Mass201.19
IUPAC Name(Z)-N-ethyl-7-fluoro-N,3-dimethyloct-6-en-4-amine
SMILESCCC(C)C(C/C=C(/C)F)N(C)CC
InChIInChI=1S/C12H24FN/c1-6-10(3)12(14(5)7-2)9-8-11(4)13/h8,10,12H,6-7,9H2,1-5H3/b11-8-
InChIKeyBWPVCIALBACPAF-FLIBITNWSA-N
XLogP3.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethyl-7-fluoro-N,3-dimethyloct-6-en-4-amine?
The IUPAC name of (Z)-N-ethyl-7-fluoro-N,3-dimethyloct-6-en-4-amine (CID 177053750) is (Z)-N-ethyl-7-fluoro-N,3-dimethyloct-6-en-4-amine.
What is the SMILES notation for (Z)-N-ethyl-7-fluoro-N,3-dimethyloct-6-en-4-amine?
The canonical SMILES for (Z)-N-ethyl-7-fluoro-N,3-dimethyloct-6-en-4-amine is CCC(C)C(C/C=C(/C)F)N(C)CC.
What is the InChIKey of (Z)-N-ethyl-7-fluoro-N,3-dimethyloct-6-en-4-amine?
The InChIKey is BWPVCIALBACPAF-FLIBITNWSA-N. The full InChI is InChI=1S/C12H24FN/c1-6-10(3)12(14(5)7-2)9-8-11(4)13/h8,10,12H,6-7,9H2,1-5H3/b11-8-.
What are the key properties of (Z)-N-ethyl-7-fluoro-N,3-dimethyloct-6-en-4-amine?
(Z)-N-ethyl-7-fluoro-N,3-dimethyloct-6-en-4-amine has a molecular weight of 201.33 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethyl-7-fluoro-N,3-dimethyloct-6-en-4-amine is sourced from PubChem (CID 177053750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).