(4R)-4-[(1E,3E,6Z)-4-fluorocycloocta-1,3,6-trien-1-yl]-N-methylhexan-1-amine

C15H24FN — CID 134365657

IUPAC(4R)-4-[(1E,3E,6Z)-4-fluorocycloocta-1,3,6-trien-1-yl]-N-methylhexan-1-amine
SMILESCC[C@H](CCCNC)/C1=C/C=C(/F)C/C=C\C1
InChIInChI=1S/C15H24FN/c1-3-13(8-6-12-17-2)14-7-4-5-9-15(16)11-10-14/h4-5,10-11,13,17H,3,6-9,12H2,1-2H3/b5-4-,14-10+,15-11+/t13-/m1/s1
InChIKeyQPBBLAAJFWUIKN-XOTGNOQQSA-N
MW237.36 g/mol
LogP4.14
Rot. Bonds6

About (4R)-4-[(1E,3E,6Z)-4-fluorocycloocta-1,3,6-trien-1-yl]-N-methylhexan-1-amine

(4R)-4-[(1E,3E,6Z)-4-fluorocycloocta-1,3,6-trien-1-yl]-N-methylhexan-1-amine (PubChem CID 134365657) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is (4R)-4-[(1E,3E,6Z)-4-fluorocycloocta-1,3,6-trien-1-yl]-N-methylhexan-1-amine.

Molecular Properties

Compound Name(4R)-4-[(1E,3E,6Z)-4-fluorocycloocta-1,3,6-trien-1-yl]-N-methylhexan-1-amine
PubChem CID134365657
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC Name(4R)-4-[(1E,3E,6Z)-4-fluorocycloocta-1,3,6-trien-1-yl]-N-methylhexan-1-amine
SMILESCC[C@H](CCCNC)/C1=C/C=C(/F)C/C=C\C1
InChIInChI=1S/C15H24FN/c1-3-13(8-6-12-17-2)14-7-4-5-9-15(16)11-10-14/h4-5,10-11,13,17H,3,6-9,12H2,1-2H3/b5-4-,14-10+,15-11+/t13-/m1/s1
InChIKeyQPBBLAAJFWUIKN-XOTGNOQQSA-N
XLogP4.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 54.14
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'}

Analyze (4R)-4-[(1E,3E,6Z)-4-fluorocycloocta-1,3,6-trien-1-yl]-N-methylhexan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

(3,7-Dimethyloct-6-en-1-yl)(methyl)amine
CID 22251448
[(2,6-Dimethylcyclohex-2-en-1-yl)methyl](methyl)amine
CID 130645649
N-[1-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethyl]propan-1-amine
CID 70842357
4-(4-Fluorocyclohexa-1,3-dien-1-yl)piperidine
CID 89358844
(Z)-N-ethyl-2-[(2S)-2-fluoropentan-3-yl]pent-3-en-1-amine
CID 90261572
N-[(4-fluoro-2-methylcyclohexa-2,4-dien-1-yl)methyl]-2-methylpropan-1-amine
CID 90831730
3-but-3-en-2-yl-N-but-1-ynyl-6-fluorohepta-3,5-dien-1-amine
CID 123226446
4-ethyl-2-(1-fluoro-2-methylprop-2-enyl)-N-methylhept-4-en-1-amine
CID 123263201
7-(fluoromethyl)-N,2,8-trimethylnon-6-en-1-amine
CID 123264703
3-ethyl-6-fluoro-N-[(4-methylcyclohexa-1,3-dien-1-yl)methyl]hept-4-en-1-amine
CID 123272222
3-(5-Fluorocyclohepta-1,4,6-trien-1-yl)azepane
CID 123319465
7-fluoro-N,3-dimethyl-4-methylideneocta-5,7-dien-1-amine
CID 123382807

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1E,3E,6Z)-4-fluorocycloocta-1,3,6-trien-1-yl]-N-methylhexan-1-amine?
The IUPAC name of (4R)-4-[(1E,3E,6Z)-4-fluorocycloocta-1,3,6-trien-1-yl]-N-methylhexan-1-amine (CID 134365657) is (4R)-4-[(1E,3E,6Z)-4-fluorocycloocta-1,3,6-trien-1-yl]-N-methylhexan-1-amine.
What is the SMILES notation for (4R)-4-[(1E,3E,6Z)-4-fluorocycloocta-1,3,6-trien-1-yl]-N-methylhexan-1-amine?
The canonical SMILES for (4R)-4-[(1E,3E,6Z)-4-fluorocycloocta-1,3,6-trien-1-yl]-N-methylhexan-1-amine is CC[C@H](CCCNC)/C1=C/C=C(/F)C/C=C\C1.
What is the InChIKey of (4R)-4-[(1E,3E,6Z)-4-fluorocycloocta-1,3,6-trien-1-yl]-N-methylhexan-1-amine?
The InChIKey is QPBBLAAJFWUIKN-XOTGNOQQSA-N. The full InChI is InChI=1S/C15H24FN/c1-3-13(8-6-12-17-2)14-7-4-5-9-15(16)11-10-14/h4-5,10-11,13,17H,3,6-9,12H2,1-2H3/b5-4-,14-10+,15-11+/t13-/m1/s1.
What are the key properties of (4R)-4-[(1E,3E,6Z)-4-fluorocycloocta-1,3,6-trien-1-yl]-N-methylhexan-1-amine?
(4R)-4-[(1E,3E,6Z)-4-fluorocycloocta-1,3,6-trien-1-yl]-N-methylhexan-1-amine has a molecular weight of 237.36 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1E,3E,6Z)-4-fluorocycloocta-1,3,6-trien-1-yl]-N-methylhexan-1-amine is sourced from PubChem (CID 134365657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).