6-fluoro-2,6-dimethylhept-1-en-3-amine

C9H18FN — CID 167281896

IUPAC6-fluoro-2,6-dimethylhept-1-en-3-amine
SMILESC=C(C)C(N)CCC(C)(C)F
InChIInChI=1S/C9H18FN/c1-7(2)8(11)5-6-9(3,4)10/h8H,1,5-6,11H2,2-4H3
InChIKeyNWKYQDKLWURGIY-UHFFFAOYSA-N
MW159.25 g/mol
LogP2.42
Rot. Bonds4

About 6-fluoro-2,6-dimethylhept-1-en-3-amine

6-fluoro-2,6-dimethylhept-1-en-3-amine (PubChem CID 167281896) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is 6-fluoro-2,6-dimethylhept-1-en-3-amine.

Molecular Properties

Compound Name6-fluoro-2,6-dimethylhept-1-en-3-amine
PubChem CID167281896
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name6-fluoro-2,6-dimethylhept-1-en-3-amine
SMILESC=C(C)C(N)CCC(C)(C)F
InChIInChI=1S/C9H18FN/c1-7(2)8(11)5-6-9(3,4)10/h8H,1,5-6,11H2,2-4H3
InChIKeyNWKYQDKLWURGIY-UHFFFAOYSA-N
XLogP2.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-2,6-dimethylhept-1-en-3-amine?
The IUPAC name of 6-fluoro-2,6-dimethylhept-1-en-3-amine (CID 167281896) is 6-fluoro-2,6-dimethylhept-1-en-3-amine.
What is the SMILES notation for 6-fluoro-2,6-dimethylhept-1-en-3-amine?
The canonical SMILES for 6-fluoro-2,6-dimethylhept-1-en-3-amine is C=C(C)C(N)CCC(C)(C)F.
What is the InChIKey of 6-fluoro-2,6-dimethylhept-1-en-3-amine?
The InChIKey is NWKYQDKLWURGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN/c1-7(2)8(11)5-6-9(3,4)10/h8H,1,5-6,11H2,2-4H3.
What are the key properties of 6-fluoro-2,6-dimethylhept-1-en-3-amine?
6-fluoro-2,6-dimethylhept-1-en-3-amine has a molecular weight of 159.25 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2,6-dimethylhept-1-en-3-amine is sourced from PubChem (CID 167281896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).