3-(4-fluoro-4-methylcyclohexyl)-N-methylpropan-1-amine

C11H22FN — CID 70326923

IUPAC3-(4-fluoro-4-methylcyclohexyl)-N-methylpropan-1-amine
SMILESCNCCCC1CCC(C)(F)CC1
InChIInChI=1S/C11H22FN/c1-11(12)7-5-10(6-8-11)4-3-9-13-2/h10,13H,3-9H2,1-2H3
InChIKeyCVGFTXVXCCBWCE-UHFFFAOYSA-N
MW187.30 g/mol
LogP2.90
Rot. Bonds4

About 3-(4-fluoro-4-methylcyclohexyl)-N-methylpropan-1-amine

3-(4-fluoro-4-methylcyclohexyl)-N-methylpropan-1-amine (PubChem CID 70326923) has the molecular formula C11H22FN and a molecular weight of 187.30 g/mol. Its IUPAC name is 3-(4-fluoro-4-methylcyclohexyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(4-fluoro-4-methylcyclohexyl)-N-methylpropan-1-amine
PubChem CID70326923
Molecular FormulaC11H22FN
Molecular Weight187.30 g/mol
Exact Mass187.17
IUPAC Name3-(4-fluoro-4-methylcyclohexyl)-N-methylpropan-1-amine
SMILESCNCCCC1CCC(C)(F)CC1
InChIInChI=1S/C11H22FN/c1-11(12)7-5-10(6-8-11)4-3-9-13-2/h10,13H,3-9H2,1-2H3
InChIKeyCVGFTXVXCCBWCE-UHFFFAOYSA-N
XLogP2.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.30
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Propylhexedrine
CID 7558
(2-Cyclohexylethyl)(methyl)amine
CID 43930
(alphaS)-N,alpha-Dimethylcyclohexaneethanamine
CID 71197
(5-Cyclohexyl-pentyl)-methyl-amine
CID 18790250
(Cyclohexylmethyl)(methyl)amine
CID 117276
Cyclexedrine hydrochloride
CID 115662
Cyclohexaneethylamine, N,alpha,alpha-trimethyl-
CID 199972
Cyclohexaneethylamine, alpha,alpha-dimethyl-N-propyl-
CID 199973
Cyclohexaneethylamine, N-butyl-alpha,alpha-dimethyl-
CID 199974
(Cyclohexylmethyl)(propyl)amine
CID 551629
Cyclexedrine
CID 115663
[(1S)-1-cyclohexylethyl](methyl)amine
CID 15194969

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-4-methylcyclohexyl)-N-methylpropan-1-amine?
The IUPAC name of 3-(4-fluoro-4-methylcyclohexyl)-N-methylpropan-1-amine (CID 70326923) is 3-(4-fluoro-4-methylcyclohexyl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(4-fluoro-4-methylcyclohexyl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(4-fluoro-4-methylcyclohexyl)-N-methylpropan-1-amine is CNCCCC1CCC(C)(F)CC1.
What is the InChIKey of 3-(4-fluoro-4-methylcyclohexyl)-N-methylpropan-1-amine?
The InChIKey is CVGFTXVXCCBWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FN/c1-11(12)7-5-10(6-8-11)4-3-9-13-2/h10,13H,3-9H2,1-2H3.
What are the key properties of 3-(4-fluoro-4-methylcyclohexyl)-N-methylpropan-1-amine?
3-(4-fluoro-4-methylcyclohexyl)-N-methylpropan-1-amine has a molecular weight of 187.30 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-4-methylcyclohexyl)-N-methylpropan-1-amine is sourced from PubChem (CID 70326923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).