cis-(1R,3S)-3-fluoro-N-methyl-N-propylcyclohexane-1-carboxamide

C11H20FNO — CID 129348776

IUPACcis-(1R,3S)-3-fluoro-N-methyl-N-propylcyclohexane-1-carboxamide
SMILESCCCN(C)C(=O)[C@@H]1CCC[C@H](F)C1
InChIInChI=1S/C11H20FNO/c1-3-7-13(2)11(14)9-5-4-6-10(12)8-9/h9-10H,3-8H2,1-2H3/t9-,10+/m1/s1
InChIKeyAUOWZLUPVKQLAR-ZJUUUORDSA-N
MW201.28 g/mol
LogP2.38
Rot. Bonds3

About cis-(1R,3S)-3-fluoro-N-methyl-N-propylcyclohexane-1-carboxamide

cis-(1R,3S)-3-fluoro-N-methyl-N-propylcyclohexane-1-carboxamide (PubChem CID 129348776) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is cis-(1R,3S)-3-fluoro-N-methyl-N-propylcyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,3S)-3-fluoro-N-methyl-N-propylcyclohexane-1-carboxamide
PubChem CID129348776
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC Namecis-(1R,3S)-3-fluoro-N-methyl-N-propylcyclohexane-1-carboxamide
SMILESCCCN(C)C(=O)[C@@H]1CCC[C@H](F)C1
InChIInChI=1S/C11H20FNO/c1-3-7-13(2)11(14)9-5-4-6-10(12)8-9/h9-10H,3-8H2,1-2H3/t9-,10+/m1/s1
InChIKeyAUOWZLUPVKQLAR-ZJUUUORDSA-N
XLogP2.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(3-fluorocyclohexanecarbonyl)-methylamino]propanoic acid
CID 122126118
3-amino-N-methyl-N-propylcyclohexane-1-carboxamide
CID 62778074
3-[(3-fluorocyclohexanecarbonyl)-methylamino]-2-methylpropanoic acid
CID 122126147
3-amino-N-methyl-N-propylcyclopentane-1-carboxamide
CID 66031475
3-[(3-aminocyclohexanecarbonyl)-methylamino]propanoic acid
CID 63046966
N-methyl-N-propyloxetane-3-carboxamide
CID 131224079
N-[2-(dimethylamino)ethyl]-N-methylcyclohexanecarboxamide
CID 110482195
N-(2-aminoethyl)-N-methylcyclooctanecarboxamide
CID 65019367
3-[2-ethoxyethyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 81061705
4-(aminomethyl)-N-methyl-N-propylcyclohexane-1-carboxamide
CID 62806413
ethyl 3-[cyclooctanecarbonyl(methyl)amino]propanoate
CID 65023078
N-[3-(dimethylamino)propyl]-N-methylcyclohexanecarboxamide
CID 143018860

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-fluoro-N-methyl-N-propylcyclohexane-1-carboxamide?
The IUPAC name of cis-(1R,3S)-3-fluoro-N-methyl-N-propylcyclohexane-1-carboxamide (CID 129348776) is cis-(1R,3S)-3-fluoro-N-methyl-N-propylcyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1R,3S)-3-fluoro-N-methyl-N-propylcyclohexane-1-carboxamide?
The canonical SMILES for cis-(1R,3S)-3-fluoro-N-methyl-N-propylcyclohexane-1-carboxamide is CCCN(C)C(=O)[C@@H]1CCC[C@H](F)C1.
What is the InChIKey of cis-(1R,3S)-3-fluoro-N-methyl-N-propylcyclohexane-1-carboxamide?
The InChIKey is AUOWZLUPVKQLAR-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H20FNO/c1-3-7-13(2)11(14)9-5-4-6-10(12)8-9/h9-10H,3-8H2,1-2H3/t9-,10+/m1/s1.
What are the key properties of cis-(1R,3S)-3-fluoro-N-methyl-N-propylcyclohexane-1-carboxamide?
cis-(1R,3S)-3-fluoro-N-methyl-N-propylcyclohexane-1-carboxamide has a molecular weight of 201.28 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-fluoro-N-methyl-N-propylcyclohexane-1-carboxamide is sourced from PubChem (CID 129348776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).