(E)-2-ethyl-6-fluorohept-5-en-1-amine

C9H18FN — CID 134400272

IUPAC(E)-2-ethyl-6-fluorohept-5-en-1-amine
SMILESCCC(CN)CC/C=C(\C)F
InChIInChI=1S/C9H18FN/c1-3-9(7-11)6-4-5-8(2)10/h5,9H,3-4,6-7,11H2,1-2H3/b8-5+
InChIKeyIIWVNTDWOHUKOS-VMPITWQZSA-N
MW159.25 g/mol
LogP2.62
Rot. Bonds5

About (E)-2-ethyl-6-fluorohept-5-en-1-amine

(E)-2-ethyl-6-fluorohept-5-en-1-amine (PubChem CID 134400272) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is (E)-2-ethyl-6-fluorohept-5-en-1-amine.

Molecular Properties

Compound Name(E)-2-ethyl-6-fluorohept-5-en-1-amine
PubChem CID134400272
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name(E)-2-ethyl-6-fluorohept-5-en-1-amine
SMILESCCC(CN)CC/C=C(\C)F
InChIInChI=1S/C9H18FN/c1-3-9(7-11)6-4-5-8(2)10/h5,9H,3-4,6-7,11H2,1-2H3/b8-5+
InChIKeyIIWVNTDWOHUKOS-VMPITWQZSA-N
XLogP2.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (E)-2-ethyl-6-fluorohept-5-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-2-ethyl-6-fluorohept-5-en-1-amine?
The IUPAC name of (E)-2-ethyl-6-fluorohept-5-en-1-amine (CID 134400272) is (E)-2-ethyl-6-fluorohept-5-en-1-amine.
What is the SMILES notation for (E)-2-ethyl-6-fluorohept-5-en-1-amine?
The canonical SMILES for (E)-2-ethyl-6-fluorohept-5-en-1-amine is CCC(CN)CC/C=C(\C)F.
What is the InChIKey of (E)-2-ethyl-6-fluorohept-5-en-1-amine?
The InChIKey is IIWVNTDWOHUKOS-VMPITWQZSA-N. The full InChI is InChI=1S/C9H18FN/c1-3-9(7-11)6-4-5-8(2)10/h5,9H,3-4,6-7,11H2,1-2H3/b8-5+.
What are the key properties of (E)-2-ethyl-6-fluorohept-5-en-1-amine?
(E)-2-ethyl-6-fluorohept-5-en-1-amine has a molecular weight of 159.25 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethyl-6-fluorohept-5-en-1-amine is sourced from PubChem (CID 134400272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).