1-fluoro-N-(6-propan-2-yl-4-propylcyclohexa-1,3-dien-1-yl)propan-2-imine

C15H24FN — CID 167030836

IUPAC1-fluoro-N-(6-propan-2-yl-4-propylcyclohexa-1,3-dien-1-yl)propan-2-imine
SMILESCCCC1=CC=C(/N=C(\C)CF)C(C(C)C)C1
InChIInChI=1S/C15H24FN/c1-5-6-13-7-8-15(17-12(4)10-16)14(9-13)11(2)3/h7-8,11,14H,5-6,9-10H2,1-4H3/b17-12+
InChIKeyHGURXQHGUGNISA-SFQUDFHCSA-N
MW237.36 g/mol
LogP4.70
Rot. Bonds5

About 1-fluoro-N-(6-propan-2-yl-4-propylcyclohexa-1,3-dien-1-yl)propan-2-imine

1-fluoro-N-(6-propan-2-yl-4-propylcyclohexa-1,3-dien-1-yl)propan-2-imine (PubChem CID 167030836) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is 1-fluoro-N-(6-propan-2-yl-4-propylcyclohexa-1,3-dien-1-yl)propan-2-imine.

Molecular Properties

Compound Name1-fluoro-N-(6-propan-2-yl-4-propylcyclohexa-1,3-dien-1-yl)propan-2-imine
PubChem CID167030836
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC Name1-fluoro-N-(6-propan-2-yl-4-propylcyclohexa-1,3-dien-1-yl)propan-2-imine
SMILESCCCC1=CC=C(/N=C(\C)CF)C(C(C)C)C1
InChIInChI=1S/C15H24FN/c1-5-6-13-7-8-15(17-12(4)10-16)14(9-13)11(2)3/h7-8,11,14H,5-6,9-10H2,1-4H3/b17-12+
InChIKeyHGURXQHGUGNISA-SFQUDFHCSA-N
XLogP4.70
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-fluoro-N-(6-propan-2-yl-4-propylcyclohexa-1,3-dien-1-yl)propan-2-imine 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 1-fluoro-N-(6-propan-2-yl-4-propylcyclohexa-1,3-dien-1-yl)propan-2-imine?
The IUPAC name of 1-fluoro-N-(6-propan-2-yl-4-propylcyclohexa-1,3-dien-1-yl)propan-2-imine (CID 167030836) is 1-fluoro-N-(6-propan-2-yl-4-propylcyclohexa-1,3-dien-1-yl)propan-2-imine.
What is the SMILES notation for 1-fluoro-N-(6-propan-2-yl-4-propylcyclohexa-1,3-dien-1-yl)propan-2-imine?
The canonical SMILES for 1-fluoro-N-(6-propan-2-yl-4-propylcyclohexa-1,3-dien-1-yl)propan-2-imine is CCCC1=CC=C(/N=C(\C)CF)C(C(C)C)C1.
What is the InChIKey of 1-fluoro-N-(6-propan-2-yl-4-propylcyclohexa-1,3-dien-1-yl)propan-2-imine?
The InChIKey is HGURXQHGUGNISA-SFQUDFHCSA-N. The full InChI is InChI=1S/C15H24FN/c1-5-6-13-7-8-15(17-12(4)10-16)14(9-13)11(2)3/h7-8,11,14H,5-6,9-10H2,1-4H3/b17-12+.
What are the key properties of 1-fluoro-N-(6-propan-2-yl-4-propylcyclohexa-1,3-dien-1-yl)propan-2-imine?
1-fluoro-N-(6-propan-2-yl-4-propylcyclohexa-1,3-dien-1-yl)propan-2-imine has a molecular weight of 237.36 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N-(6-propan-2-yl-4-propylcyclohexa-1,3-dien-1-yl)propan-2-imine is sourced from PubChem (CID 167030836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).