N-[(6-fluorocyclohexa-1,5-dien-1-yl)methyl]-N,3,4-trimethylpenta-1,4-dien-2-amine

C15H22FN — CID 166651269

IUPACN-[(6-fluorocyclohexa-1,5-dien-1-yl)methyl]-N,3,4-trimethylpenta-1,4-dien-2-amine
SMILESC=C(C)C(C)C(=C)N(C)CC1=CCCC=C1F
InChIInChI=1S/C15H22FN/c1-11(2)12(3)13(4)17(5)10-14-8-6-7-9-15(14)16/h8-9,12H,1,4,6-7,10H2,2-3,5H3
InChIKeyGRPYHBNBEHQYOZ-UHFFFAOYSA-N
MW235.35 g/mol
LogP4.22
Rot. Bonds5

About N-[(6-fluorocyclohexa-1,5-dien-1-yl)methyl]-N,3,4-trimethylpenta-1,4-dien-2-amine

N-[(6-fluorocyclohexa-1,5-dien-1-yl)methyl]-N,3,4-trimethylpenta-1,4-dien-2-amine (PubChem CID 166651269) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is N-[(6-fluorocyclohexa-1,5-dien-1-yl)methyl]-N,3,4-trimethylpenta-1,4-dien-2-amine.

Molecular Properties

Compound NameN-[(6-fluorocyclohexa-1,5-dien-1-yl)methyl]-N,3,4-trimethylpenta-1,4-dien-2-amine
PubChem CID166651269
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC NameN-[(6-fluorocyclohexa-1,5-dien-1-yl)methyl]-N,3,4-trimethylpenta-1,4-dien-2-amine
SMILESC=C(C)C(C)C(=C)N(C)CC1=CCCC=C1F
InChIInChI=1S/C15H22FN/c1-11(2)12(3)13(4)17(5)10-14-8-6-7-9-15(14)16/h8-9,12H,1,4,6-7,10H2,2-3,5H3
InChIKeyGRPYHBNBEHQYOZ-UHFFFAOYSA-N
XLogP4.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 54.22
H-Bond Donors ≤ 50
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 N-[(6-fluorocyclohexa-1,5-dien-1-yl)methyl]-N,3,4-trimethylpenta-1,4-dien-2-amine?
The IUPAC name of N-[(6-fluorocyclohexa-1,5-dien-1-yl)methyl]-N,3,4-trimethylpenta-1,4-dien-2-amine (CID 166651269) is N-[(6-fluorocyclohexa-1,5-dien-1-yl)methyl]-N,3,4-trimethylpenta-1,4-dien-2-amine.
What is the SMILES notation for N-[(6-fluorocyclohexa-1,5-dien-1-yl)methyl]-N,3,4-trimethylpenta-1,4-dien-2-amine?
The canonical SMILES for N-[(6-fluorocyclohexa-1,5-dien-1-yl)methyl]-N,3,4-trimethylpenta-1,4-dien-2-amine is C=C(C)C(C)C(=C)N(C)CC1=CCCC=C1F.
What is the InChIKey of N-[(6-fluorocyclohexa-1,5-dien-1-yl)methyl]-N,3,4-trimethylpenta-1,4-dien-2-amine?
The InChIKey is GRPYHBNBEHQYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-11(2)12(3)13(4)17(5)10-14-8-6-7-9-15(14)16/h8-9,12H,1,4,6-7,10H2,2-3,5H3.
What are the key properties of N-[(6-fluorocyclohexa-1,5-dien-1-yl)methyl]-N,3,4-trimethylpenta-1,4-dien-2-amine?
N-[(6-fluorocyclohexa-1,5-dien-1-yl)methyl]-N,3,4-trimethylpenta-1,4-dien-2-amine has a molecular weight of 235.35 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-fluorocyclohexa-1,5-dien-1-yl)methyl]-N,3,4-trimethylpenta-1,4-dien-2-amine is sourced from PubChem (CID 166651269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).