N-(1-fluoro-2-methylpropan-2-yl)-3,5-dimethylcyclohexan-1-amine

C12H24FN — CID 130659104

IUPACN-(1-fluoro-2-methylpropan-2-yl)-3,5-dimethylcyclohexan-1-amine
SMILESCC1CC(C)CC(NC(C)(C)CF)C1
InChIInChI=1S/C12H24FN/c1-9-5-10(2)7-11(6-9)14-12(3,4)8-13/h9-11,14H,5-8H2,1-4H3
InChIKeyPICQUVCKMMGFRK-UHFFFAOYSA-N
MW201.33 g/mol
LogP3.15
Rot. Bonds3

About N-(1-fluoro-2-methylpropan-2-yl)-3,5-dimethylcyclohexan-1-amine

N-(1-fluoro-2-methylpropan-2-yl)-3,5-dimethylcyclohexan-1-amine (PubChem CID 130659104) has the molecular formula C12H24FN and a molecular weight of 201.33 g/mol. Its IUPAC name is N-(1-fluoro-2-methylpropan-2-yl)-3,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(1-fluoro-2-methylpropan-2-yl)-3,5-dimethylcyclohexan-1-amine
PubChem CID130659104
Molecular FormulaC12H24FN
Molecular Weight201.33 g/mol
Exact Mass201.19
IUPAC NameN-(1-fluoro-2-methylpropan-2-yl)-3,5-dimethylcyclohexan-1-amine
SMILESCC1CC(C)CC(NC(C)(C)CF)C1
InChIInChI=1S/C12H24FN/c1-9-5-10(2)7-11(6-9)14-12(3,4)8-13/h9-11,14H,5-8H2,1-4H3
InChIKeyPICQUVCKMMGFRK-UHFFFAOYSA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1-fluoro-2-methylpropan-2-yl)-3,5-dimethylcyclohexan-1-amine?
The IUPAC name of N-(1-fluoro-2-methylpropan-2-yl)-3,5-dimethylcyclohexan-1-amine (CID 130659104) is N-(1-fluoro-2-methylpropan-2-yl)-3,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-(1-fluoro-2-methylpropan-2-yl)-3,5-dimethylcyclohexan-1-amine?
The canonical SMILES for N-(1-fluoro-2-methylpropan-2-yl)-3,5-dimethylcyclohexan-1-amine is CC1CC(C)CC(NC(C)(C)CF)C1.
What is the InChIKey of N-(1-fluoro-2-methylpropan-2-yl)-3,5-dimethylcyclohexan-1-amine?
The InChIKey is PICQUVCKMMGFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FN/c1-9-5-10(2)7-11(6-9)14-12(3,4)8-13/h9-11,14H,5-8H2,1-4H3.
What are the key properties of N-(1-fluoro-2-methylpropan-2-yl)-3,5-dimethylcyclohexan-1-amine?
N-(1-fluoro-2-methylpropan-2-yl)-3,5-dimethylcyclohexan-1-amine has a molecular weight of 201.33 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluoro-2-methylpropan-2-yl)-3,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 130659104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).