6-fluoro-3-methylhex-2-ene-1,4-diamine

C7H15FN2 — CID 54111549

IUPAC6-fluoro-3-methylhex-2-ene-1,4-diamine
SMILESCC(=CCN)C(N)CCF
InChIInChI=1S/C7H15FN2/c1-6(3-5-9)7(10)2-4-8/h3,7H,2,4-5,9-10H2,1H3
InChIKeyNHLVWIAXMMNSPR-UHFFFAOYSA-N
MW146.21 g/mol
LogP0.58
Rot. Bonds4

About 6-fluoro-3-methylhex-2-ene-1,4-diamine

6-fluoro-3-methylhex-2-ene-1,4-diamine (PubChem CID 54111549) has the molecular formula C7H15FN2 and a molecular weight of 146.21 g/mol. Its IUPAC name is 6-fluoro-3-methylhex-2-ene-1,4-diamine.

Molecular Properties

Compound Name6-fluoro-3-methylhex-2-ene-1,4-diamine
PubChem CID54111549
Molecular FormulaC7H15FN2
Molecular Weight146.21 g/mol
Exact Mass146.12
IUPAC Name6-fluoro-3-methylhex-2-ene-1,4-diamine
SMILESCC(=CCN)C(N)CCF
InChIInChI=1S/C7H15FN2/c1-6(3-5-9)7(10)2-4-8/h3,7H,2,4-5,9-10H2,1H3
InChIKeyNHLVWIAXMMNSPR-UHFFFAOYSA-N
XLogP0.58
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-methylhex-2-ene-1,4-diamine?
The IUPAC name of 6-fluoro-3-methylhex-2-ene-1,4-diamine (CID 54111549) is 6-fluoro-3-methylhex-2-ene-1,4-diamine.
What is the SMILES notation for 6-fluoro-3-methylhex-2-ene-1,4-diamine?
The canonical SMILES for 6-fluoro-3-methylhex-2-ene-1,4-diamine is CC(=CCN)C(N)CCF.
What is the InChIKey of 6-fluoro-3-methylhex-2-ene-1,4-diamine?
The InChIKey is NHLVWIAXMMNSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FN2/c1-6(3-5-9)7(10)2-4-8/h3,7H,2,4-5,9-10H2,1H3.
What are the key properties of 6-fluoro-3-methylhex-2-ene-1,4-diamine?
6-fluoro-3-methylhex-2-ene-1,4-diamine has a molecular weight of 146.21 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-methylhex-2-ene-1,4-diamine is sourced from PubChem (CID 54111549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).