6-fluoro-3-methyl-N-[2-(2-methylcyclohexyl)propyl]heptan-2-amine

C18H36FN — CID 167149120

IUPAC6-fluoro-3-methyl-N-[2-(2-methylcyclohexyl)propyl]heptan-2-amine
SMILESCC(F)CCC(C)C(C)NCC(C)C1CCCCC1C
InChIInChI=1S/C18H36FN/c1-13(10-11-16(4)19)17(5)20-12-15(3)18-9-7-6-8-14(18)2/h13-18,20H,6-12H2,1-5H3
InChIKeyUXBHYMCLZIELDV-UHFFFAOYSA-N
MW285.49 g/mol
LogP5.20
Rot. Bonds8

About 6-fluoro-3-methyl-N-[2-(2-methylcyclohexyl)propyl]heptan-2-amine

6-fluoro-3-methyl-N-[2-(2-methylcyclohexyl)propyl]heptan-2-amine (PubChem CID 167149120) has the molecular formula C18H36FN and a molecular weight of 285.49 g/mol. Its IUPAC name is 6-fluoro-3-methyl-N-[2-(2-methylcyclohexyl)propyl]heptan-2-amine.

Molecular Properties

Compound Name6-fluoro-3-methyl-N-[2-(2-methylcyclohexyl)propyl]heptan-2-amine
PubChem CID167149120
Molecular FormulaC18H36FN
Molecular Weight285.49 g/mol
Exact Mass285.28
IUPAC Name6-fluoro-3-methyl-N-[2-(2-methylcyclohexyl)propyl]heptan-2-amine
SMILESCC(F)CCC(C)C(C)NCC(C)C1CCCCC1C
InChIInChI=1S/C18H36FN/c1-13(10-11-16(4)19)17(5)20-12-15(3)18-9-7-6-8-14(18)2/h13-18,20H,6-12H2,1-5H3
InChIKeyUXBHYMCLZIELDV-UHFFFAOYSA-N
XLogP5.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.49
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-methyl-N-[2-(2-methylcyclohexyl)propyl]heptan-2-amine?
The IUPAC name of 6-fluoro-3-methyl-N-[2-(2-methylcyclohexyl)propyl]heptan-2-amine (CID 167149120) is 6-fluoro-3-methyl-N-[2-(2-methylcyclohexyl)propyl]heptan-2-amine.
What is the SMILES notation for 6-fluoro-3-methyl-N-[2-(2-methylcyclohexyl)propyl]heptan-2-amine?
The canonical SMILES for 6-fluoro-3-methyl-N-[2-(2-methylcyclohexyl)propyl]heptan-2-amine is CC(F)CCC(C)C(C)NCC(C)C1CCCCC1C.
What is the InChIKey of 6-fluoro-3-methyl-N-[2-(2-methylcyclohexyl)propyl]heptan-2-amine?
The InChIKey is UXBHYMCLZIELDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36FN/c1-13(10-11-16(4)19)17(5)20-12-15(3)18-9-7-6-8-14(18)2/h13-18,20H,6-12H2,1-5H3.
What are the key properties of 6-fluoro-3-methyl-N-[2-(2-methylcyclohexyl)propyl]heptan-2-amine?
6-fluoro-3-methyl-N-[2-(2-methylcyclohexyl)propyl]heptan-2-amine has a molecular weight of 285.49 g/mol, XLogP of 5.20, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-methyl-N-[2-(2-methylcyclohexyl)propyl]heptan-2-amine is sourced from PubChem (CID 167149120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).