1-(4-fluoro-4-methylcyclohexyl)-N-methylethenamine

C10H18FN — CID 178017903

IUPAC1-(4-fluoro-4-methylcyclohexyl)-N-methylethenamine
SMILESC=C(NC)C1CCC(C)(F)CC1
InChIInChI=1S/C10H18FN/c1-8(12-3)9-4-6-10(2,11)7-5-9/h9,12H,1,4-7H2,2-3H3
InChIKeyVKJDLSSCBGRRGF-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.64
Rot. Bonds2

About 1-(4-fluoro-4-methylcyclohexyl)-N-methylethenamine

1-(4-fluoro-4-methylcyclohexyl)-N-methylethenamine (PubChem CID 178017903) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is 1-(4-fluoro-4-methylcyclohexyl)-N-methylethenamine.

Molecular Properties

Compound Name1-(4-fluoro-4-methylcyclohexyl)-N-methylethenamine
PubChem CID178017903
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name1-(4-fluoro-4-methylcyclohexyl)-N-methylethenamine
SMILESC=C(NC)C1CCC(C)(F)CC1
InChIInChI=1S/C10H18FN/c1-8(12-3)9-4-6-10(2,11)7-5-9/h9,12H,1,4-7H2,2-3H3
InChIKeyVKJDLSSCBGRRGF-UHFFFAOYSA-N
XLogP2.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-4-methylcyclohexyl)-N-methylethenamine?
The IUPAC name of 1-(4-fluoro-4-methylcyclohexyl)-N-methylethenamine (CID 178017903) is 1-(4-fluoro-4-methylcyclohexyl)-N-methylethenamine.
What is the SMILES notation for 1-(4-fluoro-4-methylcyclohexyl)-N-methylethenamine?
The canonical SMILES for 1-(4-fluoro-4-methylcyclohexyl)-N-methylethenamine is C=C(NC)C1CCC(C)(F)CC1.
What is the InChIKey of 1-(4-fluoro-4-methylcyclohexyl)-N-methylethenamine?
The InChIKey is VKJDLSSCBGRRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN/c1-8(12-3)9-4-6-10(2,11)7-5-9/h9,12H,1,4-7H2,2-3H3.
What are the key properties of 1-(4-fluoro-4-methylcyclohexyl)-N-methylethenamine?
1-(4-fluoro-4-methylcyclohexyl)-N-methylethenamine has a molecular weight of 171.26 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-4-methylcyclohexyl)-N-methylethenamine is sourced from PubChem (CID 178017903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).