3-(3,4-dimethylcyclohexyl)-3-fluoro-2-methylpropan-1-amine

C12H24FN — CID 130604686

IUPAC3-(3,4-dimethylcyclohexyl)-3-fluoro-2-methylpropan-1-amine
SMILESCC1CCC(C(F)C(C)CN)CC1C
InChIInChI=1S/C12H24FN/c1-8-4-5-11(6-9(8)2)12(13)10(3)7-14/h8-12H,4-7,14H2,1-3H3
InChIKeyOVDQMCDUBPATFO-UHFFFAOYSA-N
MW201.33 g/mol
LogP2.99
Rot. Bonds3

About 3-(3,4-dimethylcyclohexyl)-3-fluoro-2-methylpropan-1-amine

3-(3,4-dimethylcyclohexyl)-3-fluoro-2-methylpropan-1-amine (PubChem CID 130604686) has the molecular formula C12H24FN and a molecular weight of 201.33 g/mol. Its IUPAC name is 3-(3,4-dimethylcyclohexyl)-3-fluoro-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(3,4-dimethylcyclohexyl)-3-fluoro-2-methylpropan-1-amine
PubChem CID130604686
Molecular FormulaC12H24FN
Molecular Weight201.33 g/mol
Exact Mass201.19
IUPAC Name3-(3,4-dimethylcyclohexyl)-3-fluoro-2-methylpropan-1-amine
SMILESCC1CCC(C(F)C(C)CN)CC1C
InChIInChI=1S/C12H24FN/c1-8-4-5-11(6-9(8)2)12(13)10(3)7-14/h8-12H,4-7,14H2,1-3H3
InChIKeyOVDQMCDUBPATFO-UHFFFAOYSA-N
XLogP2.99
TPSA26.02 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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylcyclohexyl)-3-fluoro-2-methylpropan-1-amine?
The IUPAC name of 3-(3,4-dimethylcyclohexyl)-3-fluoro-2-methylpropan-1-amine (CID 130604686) is 3-(3,4-dimethylcyclohexyl)-3-fluoro-2-methylpropan-1-amine.
What is the SMILES notation for 3-(3,4-dimethylcyclohexyl)-3-fluoro-2-methylpropan-1-amine?
The canonical SMILES for 3-(3,4-dimethylcyclohexyl)-3-fluoro-2-methylpropan-1-amine is CC1CCC(C(F)C(C)CN)CC1C.
What is the InChIKey of 3-(3,4-dimethylcyclohexyl)-3-fluoro-2-methylpropan-1-amine?
The InChIKey is OVDQMCDUBPATFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FN/c1-8-4-5-11(6-9(8)2)12(13)10(3)7-14/h8-12H,4-7,14H2,1-3H3.
What are the key properties of 3-(3,4-dimethylcyclohexyl)-3-fluoro-2-methylpropan-1-amine?
3-(3,4-dimethylcyclohexyl)-3-fluoro-2-methylpropan-1-amine has a molecular weight of 201.33 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylcyclohexyl)-3-fluoro-2-methylpropan-1-amine is sourced from PubChem (CID 130604686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).