(3R)-N-ethyl-N-[(E)-3-fluoroprop-2-enyl]-2-methylhexan-3-amine

C12H24FN — CID 137466784

IUPAC(3R)-N-ethyl-N-[(E)-3-fluoroprop-2-enyl]-2-methylhexan-3-amine
SMILESCCC[C@H](C(C)C)N(CC)C/C=C/F
InChIInChI=1S/C12H24FN/c1-5-8-12(11(3)4)14(6-2)10-7-9-13/h7,9,11-12H,5-6,8,10H2,1-4H3/b9-7+/t12-/m1/s1
InChIKeyZOEJWHRDCAXRBW-YPUOHESYSA-N
MW201.33 g/mol
LogP3.62
Rot. Bonds7

About (3R)-N-ethyl-N-[(E)-3-fluoroprop-2-enyl]-2-methylhexan-3-amine

(3R)-N-ethyl-N-[(E)-3-fluoroprop-2-enyl]-2-methylhexan-3-amine (PubChem CID 137466784) has the molecular formula C12H24FN and a molecular weight of 201.33 g/mol. Its IUPAC name is (3R)-N-ethyl-N-[(E)-3-fluoroprop-2-enyl]-2-methylhexan-3-amine.

Molecular Properties

Compound Name(3R)-N-ethyl-N-[(E)-3-fluoroprop-2-enyl]-2-methylhexan-3-amine
PubChem CID137466784
Molecular FormulaC12H24FN
Molecular Weight201.33 g/mol
Exact Mass201.19
IUPAC Name(3R)-N-ethyl-N-[(E)-3-fluoroprop-2-enyl]-2-methylhexan-3-amine
SMILESCCC[C@H](C(C)C)N(CC)C/C=C/F
InChIInChI=1S/C12H24FN/c1-5-8-12(11(3)4)14(6-2)10-7-9-13/h7,9,11-12H,5-6,8,10H2,1-4H3/b9-7+/t12-/m1/s1
InChIKeyZOEJWHRDCAXRBW-YPUOHESYSA-N
XLogP3.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
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 (3R)-N-ethyl-N-[(E)-3-fluoroprop-2-enyl]-2-methylhexan-3-amine?
The IUPAC name of (3R)-N-ethyl-N-[(E)-3-fluoroprop-2-enyl]-2-methylhexan-3-amine (CID 137466784) is (3R)-N-ethyl-N-[(E)-3-fluoroprop-2-enyl]-2-methylhexan-3-amine.
What is the SMILES notation for (3R)-N-ethyl-N-[(E)-3-fluoroprop-2-enyl]-2-methylhexan-3-amine?
The canonical SMILES for (3R)-N-ethyl-N-[(E)-3-fluoroprop-2-enyl]-2-methylhexan-3-amine is CCC[C@H](C(C)C)N(CC)C/C=C/F.
What is the InChIKey of (3R)-N-ethyl-N-[(E)-3-fluoroprop-2-enyl]-2-methylhexan-3-amine?
The InChIKey is ZOEJWHRDCAXRBW-YPUOHESYSA-N. The full InChI is InChI=1S/C12H24FN/c1-5-8-12(11(3)4)14(6-2)10-7-9-13/h7,9,11-12H,5-6,8,10H2,1-4H3/b9-7+/t12-/m1/s1.
What are the key properties of (3R)-N-ethyl-N-[(E)-3-fluoroprop-2-enyl]-2-methylhexan-3-amine?
(3R)-N-ethyl-N-[(E)-3-fluoroprop-2-enyl]-2-methylhexan-3-amine has a molecular weight of 201.33 g/mol, XLogP of 3.62, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-ethyl-N-[(E)-3-fluoroprop-2-enyl]-2-methylhexan-3-amine is sourced from PubChem (CID 137466784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).