N-[(2S)-3-fluoro-3-methylbutan-2-yl]cyclohexanamine

C11H22FN — CID 134995938

IUPACN-[(2S)-3-fluoro-3-methylbutan-2-yl]cyclohexanamine
SMILESC[C@H](NC1CCCCC1)C(C)(C)F
InChIInChI=1S/C11H22FN/c1-9(11(2,3)12)13-10-7-5-4-6-8-10/h9-10,13H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyFQZKGDACELYQFK-VIFPVBQESA-N
MW187.30 g/mol
LogP3.05
Rot. Bonds3

About N-[(2S)-3-fluoro-3-methylbutan-2-yl]cyclohexanamine

N-[(2S)-3-fluoro-3-methylbutan-2-yl]cyclohexanamine (PubChem CID 134995938) has the molecular formula C11H22FN and a molecular weight of 187.30 g/mol. Its IUPAC name is N-[(2S)-3-fluoro-3-methylbutan-2-yl]cyclohexanamine.

Molecular Properties

Compound NameN-[(2S)-3-fluoro-3-methylbutan-2-yl]cyclohexanamine
PubChem CID134995938
Molecular FormulaC11H22FN
Molecular Weight187.30 g/mol
Exact Mass187.17
IUPAC NameN-[(2S)-3-fluoro-3-methylbutan-2-yl]cyclohexanamine
SMILESC[C@H](NC1CCCCC1)C(C)(C)F
InChIInChI=1S/C11H22FN/c1-9(11(2,3)12)13-10-7-5-4-6-8-10/h9-10,13H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyFQZKGDACELYQFK-VIFPVBQESA-N
XLogP3.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-fluoro-3-methylbutan-2-yl]cyclohexanamine?
The IUPAC name of N-[(2S)-3-fluoro-3-methylbutan-2-yl]cyclohexanamine (CID 134995938) is N-[(2S)-3-fluoro-3-methylbutan-2-yl]cyclohexanamine.
What is the SMILES notation for N-[(2S)-3-fluoro-3-methylbutan-2-yl]cyclohexanamine?
The canonical SMILES for N-[(2S)-3-fluoro-3-methylbutan-2-yl]cyclohexanamine is C[C@H](NC1CCCCC1)C(C)(C)F.
What is the InChIKey of N-[(2S)-3-fluoro-3-methylbutan-2-yl]cyclohexanamine?
The InChIKey is FQZKGDACELYQFK-VIFPVBQESA-N. The full InChI is InChI=1S/C11H22FN/c1-9(11(2,3)12)13-10-7-5-4-6-8-10/h9-10,13H,4-8H2,1-3H3/t9-/m0/s1.
What are the key properties of N-[(2S)-3-fluoro-3-methylbutan-2-yl]cyclohexanamine?
N-[(2S)-3-fluoro-3-methylbutan-2-yl]cyclohexanamine has a molecular weight of 187.30 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-fluoro-3-methylbutan-2-yl]cyclohexanamine is sourced from PubChem (CID 134995938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).