N-(2-fluoropropan-2-yl)cyclohexanamine

C9H18FN — CID 145320025

IUPACN-(2-fluoropropan-2-yl)cyclohexanamine
SMILESCC(C)(F)NC1CCCCC1
InChIInChI=1S/C9H18FN/c1-9(2,10)11-8-6-4-3-5-7-8/h8,11H,3-7H2,1-2H3
InChIKeyVLTVMSHUTKJIOH-UHFFFAOYSA-N
MW159.25 g/mol
LogP2.61
Rot. Bonds2

About N-(2-fluoropropan-2-yl)cyclohexanamine

N-(2-fluoropropan-2-yl)cyclohexanamine (PubChem CID 145320025) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is N-(2-fluoropropan-2-yl)cyclohexanamine.

Molecular Properties

Compound NameN-(2-fluoropropan-2-yl)cyclohexanamine
PubChem CID145320025
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC NameN-(2-fluoropropan-2-yl)cyclohexanamine
SMILESCC(C)(F)NC1CCCCC1
InChIInChI=1S/C9H18FN/c1-9(2,10)11-8-6-4-3-5-7-8/h8,11H,3-7H2,1-2H3
InChIKeyVLTVMSHUTKJIOH-UHFFFAOYSA-N
XLogP2.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-tert-butylcyclobutanamine;N-tert-butylcyclohexanamine;N-tert-butylcyclopentanamine;N-tert-butylcyclopropanamine
CID 158164936
N-(1,1,2,2,2-pentafluoroethyl)cyclohexanamine
CID 54237781
N-(2,3,3-trimethylbutan-2-yl)cyclopentanamine
CID 58297120
N-(2,3-dimethylbutan-2-yl)cyclohexanamine
CID 89164056
4-N-tert-butyl-1-N-cyclohexylcyclohexane-1,4-diamine
CID 58707395
N-(2,4,4-trimethylpentan-2-yl)cyclooctanamine
CID 43434257
2-N,2-N'-dicyclohexylbut-3-ene-2,2-diamine
CID 87208468
N-(2,4,4-trimethylpentan-2-yl)cycloheptanamine
CID 43434260
N-(1-chloro-2-methylpropan-2-yl)cycloheptanamine
CID 82937251
N-(2-cyclopropylpropan-2-yl)cyclopentanamine
CID 103923045
(2R)-2-(cycloheptylamino)-2-fluoropropane-1-sulfonic acid
CID 87925243
2-(cycloheptylamino)-N,N,2-trimethylpropanamide
CID 115907173

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoropropan-2-yl)cyclohexanamine?
The IUPAC name of N-(2-fluoropropan-2-yl)cyclohexanamine (CID 145320025) is N-(2-fluoropropan-2-yl)cyclohexanamine.
What is the SMILES notation for N-(2-fluoropropan-2-yl)cyclohexanamine?
The canonical SMILES for N-(2-fluoropropan-2-yl)cyclohexanamine is CC(C)(F)NC1CCCCC1.
What is the InChIKey of N-(2-fluoropropan-2-yl)cyclohexanamine?
The InChIKey is VLTVMSHUTKJIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN/c1-9(2,10)11-8-6-4-3-5-7-8/h8,11H,3-7H2,1-2H3.
What are the key properties of N-(2-fluoropropan-2-yl)cyclohexanamine?
N-(2-fluoropropan-2-yl)cyclohexanamine has a molecular weight of 159.25 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoropropan-2-yl)cyclohexanamine is sourced from PubChem (CID 145320025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).