(E)-1-fluoro-5-methyloct-4-ene-2,6-diamine

C9H19FN2 — CID 88697808

IUPAC(E)-1-fluoro-5-methyloct-4-ene-2,6-diamine
SMILESCCC(N)/C(C)=C/CC(N)CF
InChIInChI=1S/C9H19FN2/c1-3-9(12)7(2)4-5-8(11)6-10/h4,8-9H,3,5-6,11-12H2,1-2H3/b7-4+
InChIKeyOWKYIRALNVQNED-QPJJXVBHSA-N
MW174.26 g/mol
LogP1.36
Rot. Bonds5

About (E)-1-fluoro-5-methyloct-4-ene-2,6-diamine

(E)-1-fluoro-5-methyloct-4-ene-2,6-diamine (PubChem CID 88697808) has the molecular formula C9H19FN2 and a molecular weight of 174.26 g/mol. Its IUPAC name is (E)-1-fluoro-5-methyloct-4-ene-2,6-diamine.

Molecular Properties

Compound Name(E)-1-fluoro-5-methyloct-4-ene-2,6-diamine
PubChem CID88697808
Molecular FormulaC9H19FN2
Molecular Weight174.26 g/mol
Exact Mass174.15
IUPAC Name(E)-1-fluoro-5-methyloct-4-ene-2,6-diamine
SMILESCCC(N)/C(C)=C/CC(N)CF
InChIInChI=1S/C9H19FN2/c1-3-9(12)7(2)4-5-8(11)6-10/h4,8-9H,3,5-6,11-12H2,1-2H3/b7-4+
InChIKeyOWKYIRALNVQNED-QPJJXVBHSA-N
XLogP1.36
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-Methylhept-5-en-2-amine, (+-)-
CID 31179
(2E)-3,7-Dimethylocta-2,6-dien-1-amine
CID 5475462
2,6,10-Dodecatrien-1-amine, 3,7,11-trimethyl-
CID 6449783
(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-amine
CID 18598171
Farnesylamine
CID 3080630
(2Z)-Farnesylamine
CID 129653587
(2E)-3,7,11-trimethyldodeca-2,6,10-trien-1-amine
CID 175927183
3,7-Dimethylocta-2,6-dien-1-amine
CID 160248
(E)-3,7-Dimethylocta-2,6-dien-1-amine hydrochloride
CID 11298432
2,6-Octadien-1-amine, 3,7-dimethyl-
CID 5362850
(6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-amine
CID 137393716
(3E)-4,8-dimethylnona-3,7-dien-1-amine
CID 55254845

Frequently Asked Questions

What is the IUPAC name of (E)-1-fluoro-5-methyloct-4-ene-2,6-diamine?
The IUPAC name of (E)-1-fluoro-5-methyloct-4-ene-2,6-diamine (CID 88697808) is (E)-1-fluoro-5-methyloct-4-ene-2,6-diamine.
What is the SMILES notation for (E)-1-fluoro-5-methyloct-4-ene-2,6-diamine?
The canonical SMILES for (E)-1-fluoro-5-methyloct-4-ene-2,6-diamine is CCC(N)/C(C)=C/CC(N)CF.
What is the InChIKey of (E)-1-fluoro-5-methyloct-4-ene-2,6-diamine?
The InChIKey is OWKYIRALNVQNED-QPJJXVBHSA-N. The full InChI is InChI=1S/C9H19FN2/c1-3-9(12)7(2)4-5-8(11)6-10/h4,8-9H,3,5-6,11-12H2,1-2H3/b7-4+.
What are the key properties of (E)-1-fluoro-5-methyloct-4-ene-2,6-diamine?
(E)-1-fluoro-5-methyloct-4-ene-2,6-diamine has a molecular weight of 174.26 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-fluoro-5-methyloct-4-ene-2,6-diamine is sourced from PubChem (CID 88697808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).