4-ethyl-N-[1-[(1R)-2-fluorocyclopropyl]ethenyl]cyclohexan-1-amine

C13H22FN — CID 89108112

IUPAC4-ethyl-N-[1-[(1R)-2-fluorocyclopropyl]ethenyl]cyclohexan-1-amine
SMILESC=C(NC1CCC(CC)CC1)[C@H]1CC1F
InChIInChI=1S/C13H22FN/c1-3-10-4-6-11(7-5-10)15-9(2)12-8-13(12)14/h10-13,15H,2-8H2,1H3/t10?,11?,12-,13?/m1/s1
InChIKeyJGCRBBFJJXCINY-AYNROABZSA-N
MW211.32 g/mol
LogP3.42
Rot. Bonds4

About 4-ethyl-N-[1-[(1R)-2-fluorocyclopropyl]ethenyl]cyclohexan-1-amine

4-ethyl-N-[1-[(1R)-2-fluorocyclopropyl]ethenyl]cyclohexan-1-amine (PubChem CID 89108112) has the molecular formula C13H22FN and a molecular weight of 211.32 g/mol. Its IUPAC name is 4-ethyl-N-[1-[(1R)-2-fluorocyclopropyl]ethenyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-[1-[(1R)-2-fluorocyclopropyl]ethenyl]cyclohexan-1-amine
PubChem CID89108112
Molecular FormulaC13H22FN
Molecular Weight211.32 g/mol
Exact Mass211.17
IUPAC Name4-ethyl-N-[1-[(1R)-2-fluorocyclopropyl]ethenyl]cyclohexan-1-amine
SMILESC=C(NC1CCC(CC)CC1)[C@H]1CC1F
InChIInChI=1S/C13H22FN/c1-3-10-4-6-11(7-5-10)15-9(2)12-8-13(12)14/h10-13,15H,2-8H2,1H3/t10?,11?,12-,13?/m1/s1
InChIKeyJGCRBBFJJXCINY-AYNROABZSA-N
XLogP3.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.32
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[1-[(1R)-2-fluorocyclopropyl]ethenyl]cyclohexan-1-amine?
The IUPAC name of 4-ethyl-N-[1-[(1R)-2-fluorocyclopropyl]ethenyl]cyclohexan-1-amine (CID 89108112) is 4-ethyl-N-[1-[(1R)-2-fluorocyclopropyl]ethenyl]cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-N-[1-[(1R)-2-fluorocyclopropyl]ethenyl]cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-N-[1-[(1R)-2-fluorocyclopropyl]ethenyl]cyclohexan-1-amine is C=C(NC1CCC(CC)CC1)[C@H]1CC1F.
What is the InChIKey of 4-ethyl-N-[1-[(1R)-2-fluorocyclopropyl]ethenyl]cyclohexan-1-amine?
The InChIKey is JGCRBBFJJXCINY-AYNROABZSA-N. The full InChI is InChI=1S/C13H22FN/c1-3-10-4-6-11(7-5-10)15-9(2)12-8-13(12)14/h10-13,15H,2-8H2,1H3/t10?,11?,12-,13?/m1/s1.
What are the key properties of 4-ethyl-N-[1-[(1R)-2-fluorocyclopropyl]ethenyl]cyclohexan-1-amine?
4-ethyl-N-[1-[(1R)-2-fluorocyclopropyl]ethenyl]cyclohexan-1-amine has a molecular weight of 211.32 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[1-[(1R)-2-fluorocyclopropyl]ethenyl]cyclohexan-1-amine is sourced from PubChem (CID 89108112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).