1-(3-fluorocyclohexa-2,4-dien-1-yl)-N,5,5-trimethylhexan-1-amine

C15H26FN — CID 145446704

IUPAC1-(3-fluorocyclohexa-2,4-dien-1-yl)-N,5,5-trimethylhexan-1-amine
SMILESCNC(CCCC(C)(C)C)C1C=C(F)C=CC1
InChIInChI=1S/C15H26FN/c1-15(2,3)10-6-9-14(17-4)12-7-5-8-13(16)11-12/h5,8,11-12,14,17H,6-7,9-10H2,1-4H3
InChIKeyZLCLLSQYPRWIBG-UHFFFAOYSA-N
MW239.38 g/mol
LogP4.22
Rot. Bonds5

About 1-(3-fluorocyclohexa-2,4-dien-1-yl)-N,5,5-trimethylhexan-1-amine

1-(3-fluorocyclohexa-2,4-dien-1-yl)-N,5,5-trimethylhexan-1-amine (PubChem CID 145446704) has the molecular formula C15H26FN and a molecular weight of 239.38 g/mol. Its IUPAC name is 1-(3-fluorocyclohexa-2,4-dien-1-yl)-N,5,5-trimethylhexan-1-amine.

Molecular Properties

Compound Name1-(3-fluorocyclohexa-2,4-dien-1-yl)-N,5,5-trimethylhexan-1-amine
PubChem CID145446704
Molecular FormulaC15H26FN
Molecular Weight239.38 g/mol
Exact Mass239.20
IUPAC Name1-(3-fluorocyclohexa-2,4-dien-1-yl)-N,5,5-trimethylhexan-1-amine
SMILESCNC(CCCC(C)(C)C)C1C=C(F)C=CC1
InChIInChI=1S/C15H26FN/c1-15(2,3)10-6-9-14(17-4)12-7-5-8-13(16)11-12/h5,8,11-12,14,17H,6-7,9-10H2,1-4H3
InChIKeyZLCLLSQYPRWIBG-UHFFFAOYSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorocyclohexa-2,4-dien-1-yl)-N,5,5-trimethylhexan-1-amine?
The IUPAC name of 1-(3-fluorocyclohexa-2,4-dien-1-yl)-N,5,5-trimethylhexan-1-amine (CID 145446704) is 1-(3-fluorocyclohexa-2,4-dien-1-yl)-N,5,5-trimethylhexan-1-amine.
What is the SMILES notation for 1-(3-fluorocyclohexa-2,4-dien-1-yl)-N,5,5-trimethylhexan-1-amine?
The canonical SMILES for 1-(3-fluorocyclohexa-2,4-dien-1-yl)-N,5,5-trimethylhexan-1-amine is CNC(CCCC(C)(C)C)C1C=C(F)C=CC1.
What is the InChIKey of 1-(3-fluorocyclohexa-2,4-dien-1-yl)-N,5,5-trimethylhexan-1-amine?
The InChIKey is ZLCLLSQYPRWIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26FN/c1-15(2,3)10-6-9-14(17-4)12-7-5-8-13(16)11-12/h5,8,11-12,14,17H,6-7,9-10H2,1-4H3.
What are the key properties of 1-(3-fluorocyclohexa-2,4-dien-1-yl)-N,5,5-trimethylhexan-1-amine?
1-(3-fluorocyclohexa-2,4-dien-1-yl)-N,5,5-trimethylhexan-1-amine has a molecular weight of 239.38 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorocyclohexa-2,4-dien-1-yl)-N,5,5-trimethylhexan-1-amine is sourced from PubChem (CID 145446704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).