7-(fluoromethyl)-N,2,8-trimethylnon-6-en-1-amine

C13H26FN — CID 123264703

IUPAC7-(fluoromethyl)-N,2,8-trimethylnon-6-en-1-amine
SMILESCNCC(C)CCCC=C(CF)C(C)C
InChIInChI=1S/C13H26FN/c1-11(2)13(9-14)8-6-5-7-12(3)10-15-4/h8,11-12,15H,5-7,9-10H2,1-4H3
InChIKeyAYBNTKOFAPNWRQ-UHFFFAOYSA-N
MW215.36 g/mol
LogP3.56
Rot. Bonds8

About 7-(fluoromethyl)-N,2,8-trimethylnon-6-en-1-amine

7-(fluoromethyl)-N,2,8-trimethylnon-6-en-1-amine (PubChem CID 123264703) has the molecular formula C13H26FN and a molecular weight of 215.36 g/mol. Its IUPAC name is 7-(fluoromethyl)-N,2,8-trimethylnon-6-en-1-amine.

Molecular Properties

Compound Name7-(fluoromethyl)-N,2,8-trimethylnon-6-en-1-amine
PubChem CID123264703
Molecular FormulaC13H26FN
Molecular Weight215.36 g/mol
Exact Mass215.20
IUPAC Name7-(fluoromethyl)-N,2,8-trimethylnon-6-en-1-amine
SMILESCNCC(C)CCCC=C(CF)C(C)C
InChIInChI=1S/C13H26FN/c1-11(2)13(9-14)8-6-5-7-12(3)10-15-4/h8,11-12,15H,5-7,9-10H2,1-4H3
InChIKeyAYBNTKOFAPNWRQ-UHFFFAOYSA-N
XLogP3.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3,7,11-Trimethyl-dodeca-2,6,10-trienyl)-(2,6,10-trimethyl-undeca-5,9-dienyl)-amine
CID 10431909
3,7-Dimethyloct-6-en-1-amine
CID 3016807
N-methyl-1-(2,4,6-trimethylcyclohex-3-en-1-yl)methanamine
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(3,7-Dimethyloct-6-en-1-yl)(methyl)amine
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[(2,6-Dimethylcyclohex-2-en-1-yl)methyl](methyl)amine
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(2,6-Dimethylhept-5-en-1-yl)(methyl)amine
CID 146817482
{[(1R)-cyclohex-3-en-1-yl]methyl}(methyl)amine hydrochloride
CID 177798572
[(2,4-Dimethylcyclohex-3-en-1-yl)methyl](methyl)amine
CID 177798578
{[(1S)-cyclohex-3-en-1-yl]methyl}(methyl)amine hydrochloride
CID 177798581
4-[(E)-1-fluorohex-3-en-3-yl]piperidine
CID 89168225
(Z)-N-ethyl-2-[(2S)-2-fluoropentan-3-yl]pent-3-en-1-amine
CID 90261572
3-but-3-en-2-yl-N-but-1-ynyl-6-fluorohepta-3,5-dien-1-amine
CID 123226446

Frequently Asked Questions

What is the IUPAC name of 7-(fluoromethyl)-N,2,8-trimethylnon-6-en-1-amine?
The IUPAC name of 7-(fluoromethyl)-N,2,8-trimethylnon-6-en-1-amine (CID 123264703) is 7-(fluoromethyl)-N,2,8-trimethylnon-6-en-1-amine.
What is the SMILES notation for 7-(fluoromethyl)-N,2,8-trimethylnon-6-en-1-amine?
The canonical SMILES for 7-(fluoromethyl)-N,2,8-trimethylnon-6-en-1-amine is CNCC(C)CCCC=C(CF)C(C)C.
What is the InChIKey of 7-(fluoromethyl)-N,2,8-trimethylnon-6-en-1-amine?
The InChIKey is AYBNTKOFAPNWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26FN/c1-11(2)13(9-14)8-6-5-7-12(3)10-15-4/h8,11-12,15H,5-7,9-10H2,1-4H3.
What are the key properties of 7-(fluoromethyl)-N,2,8-trimethylnon-6-en-1-amine?
7-(fluoromethyl)-N,2,8-trimethylnon-6-en-1-amine has a molecular weight of 215.36 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(fluoromethyl)-N,2,8-trimethylnon-6-en-1-amine is sourced from PubChem (CID 123264703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).