1-(3-fluorocyclohexyl)-N-methylpropan-2-amine

C10H20FN — CID 84732027

IUPAC1-(3-fluorocyclohexyl)-N-methylpropan-2-amine
SMILESCNC(C)CC1CCCC(F)C1
InChIInChI=1S/C10H20FN/c1-8(12-2)6-9-4-3-5-10(11)7-9/h8-10,12H,3-7H2,1-2H3
InChIKeyUMVWYGASJUIPEJ-UHFFFAOYSA-N
MW173.28 g/mol
LogP2.51
Rot. Bonds3

About 1-(3-fluorocyclohexyl)-N-methylpropan-2-amine

1-(3-fluorocyclohexyl)-N-methylpropan-2-amine (PubChem CID 84732027) has the molecular formula C10H20FN and a molecular weight of 173.28 g/mol. Its IUPAC name is 1-(3-fluorocyclohexyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-fluorocyclohexyl)-N-methylpropan-2-amine
PubChem CID84732027
Molecular FormulaC10H20FN
Molecular Weight173.28 g/mol
Exact Mass173.16
IUPAC Name1-(3-fluorocyclohexyl)-N-methylpropan-2-amine
SMILESCNC(C)CC1CCCC(F)C1
InChIInChI=1S/C10H20FN/c1-8(12-2)6-9-4-3-5-10(11)7-9/h8-10,12H,3-7H2,1-2H3
InChIKeyUMVWYGASJUIPEJ-UHFFFAOYSA-N
XLogP2.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorocyclohexyl)-N-methylpropan-2-amine?
The IUPAC name of 1-(3-fluorocyclohexyl)-N-methylpropan-2-amine (CID 84732027) is 1-(3-fluorocyclohexyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(3-fluorocyclohexyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(3-fluorocyclohexyl)-N-methylpropan-2-amine is CNC(C)CC1CCCC(F)C1.
What is the InChIKey of 1-(3-fluorocyclohexyl)-N-methylpropan-2-amine?
The InChIKey is UMVWYGASJUIPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FN/c1-8(12-2)6-9-4-3-5-10(11)7-9/h8-10,12H,3-7H2,1-2H3.
What are the key properties of 1-(3-fluorocyclohexyl)-N-methylpropan-2-amine?
1-(3-fluorocyclohexyl)-N-methylpropan-2-amine has a molecular weight of 173.28 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorocyclohexyl)-N-methylpropan-2-amine is sourced from PubChem (CID 84732027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).