(E)-6-N-ethyl-2-fluorohept-1-ene-1,6-diamine

C9H19FN2 — CID 170053877

IUPAC(E)-6-N-ethyl-2-fluorohept-1-ene-1,6-diamine
SMILESCCNC(C)CCC/C(F)=C\N
InChIInChI=1S/C9H19FN2/c1-3-12-8(2)5-4-6-9(10)7-11/h7-8,12H,3-6,11H2,1-2H3/b9-7+
InChIKeyYHGSCVZUTADCEP-VQHVLOKHSA-N
MW174.26 g/mol
LogP1.92
Rot. Bonds6

About (E)-6-N-ethyl-2-fluorohept-1-ene-1,6-diamine

(E)-6-N-ethyl-2-fluorohept-1-ene-1,6-diamine (PubChem CID 170053877) has the molecular formula C9H19FN2 and a molecular weight of 174.26 g/mol. Its IUPAC name is (E)-6-N-ethyl-2-fluorohept-1-ene-1,6-diamine.

Molecular Properties

Compound Name(E)-6-N-ethyl-2-fluorohept-1-ene-1,6-diamine
PubChem CID170053877
Molecular FormulaC9H19FN2
Molecular Weight174.26 g/mol
Exact Mass174.15
IUPAC Name(E)-6-N-ethyl-2-fluorohept-1-ene-1,6-diamine
SMILESCCNC(C)CCC/C(F)=C\N
InChIInChI=1S/C9H19FN2/c1-3-12-8(2)5-4-6-9(10)7-11/h7-8,12H,3-6,11H2,1-2H3/b9-7+
InChIKeyYHGSCVZUTADCEP-VQHVLOKHSA-N
XLogP1.92
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (E)-6-N-ethyl-2-fluorohept-1-ene-1,6-diamine 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)-6-N-ethyl-2-fluorohept-1-ene-1,6-diamine?
The IUPAC name of (E)-6-N-ethyl-2-fluorohept-1-ene-1,6-diamine (CID 170053877) is (E)-6-N-ethyl-2-fluorohept-1-ene-1,6-diamine.
What is the SMILES notation for (E)-6-N-ethyl-2-fluorohept-1-ene-1,6-diamine?
The canonical SMILES for (E)-6-N-ethyl-2-fluorohept-1-ene-1,6-diamine is CCNC(C)CCC/C(F)=C\N.
What is the InChIKey of (E)-6-N-ethyl-2-fluorohept-1-ene-1,6-diamine?
The InChIKey is YHGSCVZUTADCEP-VQHVLOKHSA-N. The full InChI is InChI=1S/C9H19FN2/c1-3-12-8(2)5-4-6-9(10)7-11/h7-8,12H,3-6,11H2,1-2H3/b9-7+.
What are the key properties of (E)-6-N-ethyl-2-fluorohept-1-ene-1,6-diamine?
(E)-6-N-ethyl-2-fluorohept-1-ene-1,6-diamine has a molecular weight of 174.26 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-N-ethyl-2-fluorohept-1-ene-1,6-diamine is sourced from PubChem (CID 170053877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).