4-N,4-dibutyl-3-fluorocyclohexa-1,5-diene-1,4-diamine

C14H25FN2 — CID 154352198

IUPAC4-N,4-dibutyl-3-fluorocyclohexa-1,5-diene-1,4-diamine
SMILESCCCCNC1(CCCC)C=CC(N)=CC1F
InChIInChI=1S/C14H25FN2/c1-3-5-8-14(17-10-6-4-2)9-7-12(16)11-13(14)15/h7,9,11,13,17H,3-6,8,10,16H2,1-2H3
InChIKeyPFVJJXSEORBWRO-UHFFFAOYSA-N
MW240.37 g/mol
LogP3.06
Rot. Bonds7

About 4-N,4-dibutyl-3-fluorocyclohexa-1,5-diene-1,4-diamine

4-N,4-dibutyl-3-fluorocyclohexa-1,5-diene-1,4-diamine (PubChem CID 154352198) has the molecular formula C14H25FN2 and a molecular weight of 240.37 g/mol. Its IUPAC name is 4-N,4-dibutyl-3-fluorocyclohexa-1,5-diene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-dibutyl-3-fluorocyclohexa-1,5-diene-1,4-diamine
PubChem CID154352198
Molecular FormulaC14H25FN2
Molecular Weight240.37 g/mol
Exact Mass240.20
IUPAC Name4-N,4-dibutyl-3-fluorocyclohexa-1,5-diene-1,4-diamine
SMILESCCCCNC1(CCCC)C=CC(N)=CC1F
InChIInChI=1S/C14H25FN2/c1-3-5-8-14(17-10-6-4-2)9-7-12(16)11-13(14)15/h7,9,11,13,17H,3-6,8,10,16H2,1-2H3
InChIKeyPFVJJXSEORBWRO-UHFFFAOYSA-N
XLogP3.06
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-N,4-dibutyl-3-fluorocyclohexa-1,5-diene-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N,4-dibutyl-3-fluorocyclohexa-1,5-diene-1,4-diamine?
The IUPAC name of 4-N,4-dibutyl-3-fluorocyclohexa-1,5-diene-1,4-diamine (CID 154352198) is 4-N,4-dibutyl-3-fluorocyclohexa-1,5-diene-1,4-diamine.
What is the SMILES notation for 4-N,4-dibutyl-3-fluorocyclohexa-1,5-diene-1,4-diamine?
The canonical SMILES for 4-N,4-dibutyl-3-fluorocyclohexa-1,5-diene-1,4-diamine is CCCCNC1(CCCC)C=CC(N)=CC1F.
What is the InChIKey of 4-N,4-dibutyl-3-fluorocyclohexa-1,5-diene-1,4-diamine?
The InChIKey is PFVJJXSEORBWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25FN2/c1-3-5-8-14(17-10-6-4-2)9-7-12(16)11-13(14)15/h7,9,11,13,17H,3-6,8,10,16H2,1-2H3.
What are the key properties of 4-N,4-dibutyl-3-fluorocyclohexa-1,5-diene-1,4-diamine?
4-N,4-dibutyl-3-fluorocyclohexa-1,5-diene-1,4-diamine has a molecular weight of 240.37 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-dibutyl-3-fluorocyclohexa-1,5-diene-1,4-diamine is sourced from PubChem (CID 154352198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).