5-fluoro-6-methyl-1-(4-methylcyclohexyl)oct-7-en-4-amine

C16H30FN — CID 134389888

IUPAC5-fluoro-6-methyl-1-(4-methylcyclohexyl)oct-7-en-4-amine
SMILESC=CC(C)C(F)C(N)CCCC1CCC(C)CC1
InChIInChI=1S/C16H30FN/c1-4-13(3)16(17)15(18)7-5-6-14-10-8-12(2)9-11-14/h4,12-16H,1,5-11,18H2,2-3H3
InChIKeyFIERYXOIRONWOP-UHFFFAOYSA-N
MW255.42 g/mol
LogP4.47
Rot. Bonds7

About 5-fluoro-6-methyl-1-(4-methylcyclohexyl)oct-7-en-4-amine

5-fluoro-6-methyl-1-(4-methylcyclohexyl)oct-7-en-4-amine (PubChem CID 134389888) has the molecular formula C16H30FN and a molecular weight of 255.42 g/mol. Its IUPAC name is 5-fluoro-6-methyl-1-(4-methylcyclohexyl)oct-7-en-4-amine.

Molecular Properties

Compound Name5-fluoro-6-methyl-1-(4-methylcyclohexyl)oct-7-en-4-amine
PubChem CID134389888
Molecular FormulaC16H30FN
Molecular Weight255.42 g/mol
Exact Mass255.24
IUPAC Name5-fluoro-6-methyl-1-(4-methylcyclohexyl)oct-7-en-4-amine
SMILESC=CC(C)C(F)C(N)CCCC1CCC(C)CC1
InChIInChI=1S/C16H30FN/c1-4-13(3)16(17)15(18)7-5-6-14-10-8-12(2)9-11-14/h4,12-16H,1,5-11,18H2,2-3H3
InChIKeyFIERYXOIRONWOP-UHFFFAOYSA-N
XLogP4.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.42
LogP ≤ 54.47
H-Bond Donors ≤ 51
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 5-fluoro-6-methyl-1-(4-methylcyclohexyl)oct-7-en-4-amine?
The IUPAC name of 5-fluoro-6-methyl-1-(4-methylcyclohexyl)oct-7-en-4-amine (CID 134389888) is 5-fluoro-6-methyl-1-(4-methylcyclohexyl)oct-7-en-4-amine.
What is the SMILES notation for 5-fluoro-6-methyl-1-(4-methylcyclohexyl)oct-7-en-4-amine?
The canonical SMILES for 5-fluoro-6-methyl-1-(4-methylcyclohexyl)oct-7-en-4-amine is C=CC(C)C(F)C(N)CCCC1CCC(C)CC1.
What is the InChIKey of 5-fluoro-6-methyl-1-(4-methylcyclohexyl)oct-7-en-4-amine?
The InChIKey is FIERYXOIRONWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30FN/c1-4-13(3)16(17)15(18)7-5-6-14-10-8-12(2)9-11-14/h4,12-16H,1,5-11,18H2,2-3H3.
What are the key properties of 5-fluoro-6-methyl-1-(4-methylcyclohexyl)oct-7-en-4-amine?
5-fluoro-6-methyl-1-(4-methylcyclohexyl)oct-7-en-4-amine has a molecular weight of 255.42 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methyl-1-(4-methylcyclohexyl)oct-7-en-4-amine is sourced from PubChem (CID 134389888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).