ethane;2-(2-fluoroethyl)-N,4-dimethylcyclopentan-1-amine

C13H30FN — CID 145367548

IUPACethane;2-(2-fluoroethyl)-N,4-dimethylcyclopentan-1-amine
SMILESCC.CC.CNC1CC(C)CC1CCF
InChIInChI=1S/C9H18FN.2C2H6/c1-7-5-8(3-4-10)9(6-7)11-2;2*1-2/h7-9,11H,3-6H2,1-2H3;2*1-2H3
InChIKeyDYCJMDWQKKQBPJ-UHFFFAOYSA-N
MW219.39 g/mol
LogP4.03
Rot. Bonds3

About ethane;2-(2-fluoroethyl)-N,4-dimethylcyclopentan-1-amine

ethane;2-(2-fluoroethyl)-N,4-dimethylcyclopentan-1-amine (PubChem CID 145367548) has the molecular formula C13H30FN and a molecular weight of 219.39 g/mol. Its IUPAC name is ethane;2-(2-fluoroethyl)-N,4-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Nameethane;2-(2-fluoroethyl)-N,4-dimethylcyclopentan-1-amine
PubChem CID145367548
Molecular FormulaC13H30FN
Molecular Weight219.39 g/mol
Exact Mass219.24
IUPAC Nameethane;2-(2-fluoroethyl)-N,4-dimethylcyclopentan-1-amine
SMILESCC.CC.CNC1CC(C)CC1CCF
InChIInChI=1S/C9H18FN.2C2H6/c1-7-5-8(3-4-10)9(6-7)11-2;2*1-2/h7-9,11H,3-6H2,1-2H3;2*1-2H3
InChIKeyDYCJMDWQKKQBPJ-UHFFFAOYSA-N
XLogP4.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,4-dimethyl-2-nonylcyclohexan-1-amine
CID 63403610
3-(2-fluoroethyl)-N-methylcyclobutan-1-amine
CID 105427648
N,4,7-trimethyl-7-azabicyclo[4.1.0]heptan-2-amine
CID 163883093
N-methyl-2-(methylaminomethyl)cyclopropan-1-amine
CID 89351748
2-butyl-N-methylcyclopropan-1-amine;propan-1-ol
CID 89249229
(1R)-N,2-dimethylcyclopropan-1-amine
CID 54266879
2-[[ethyl(2-ethylbutyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine
CID 63495552
2-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl-(2-hydroxyethyl)amino]ethanol
CID 64736620
1,4-dimethyl-2-propylcyclopentane;ethane
CID 155717345
N,4-dimethyl-2-(2-phenylsulfanylethyl)cyclohexan-1-amine
CID 79227744
2-[[cyclopropyl(propyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine
CID 62615565
2-(cyclopentylmethylsulfonyl)-N,3,5-trimethylcyclohexan-1-amine
CID 64753286

Frequently Asked Questions

What is the IUPAC name of ethane;2-(2-fluoroethyl)-N,4-dimethylcyclopentan-1-amine?
The IUPAC name of ethane;2-(2-fluoroethyl)-N,4-dimethylcyclopentan-1-amine (CID 145367548) is ethane;2-(2-fluoroethyl)-N,4-dimethylcyclopentan-1-amine.
What is the SMILES notation for ethane;2-(2-fluoroethyl)-N,4-dimethylcyclopentan-1-amine?
The canonical SMILES for ethane;2-(2-fluoroethyl)-N,4-dimethylcyclopentan-1-amine is CC.CC.CNC1CC(C)CC1CCF.
What is the InChIKey of ethane;2-(2-fluoroethyl)-N,4-dimethylcyclopentan-1-amine?
The InChIKey is DYCJMDWQKKQBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN.2C2H6/c1-7-5-8(3-4-10)9(6-7)11-2;2*1-2/h7-9,11H,3-6H2,1-2H3;2*1-2H3.
What are the key properties of ethane;2-(2-fluoroethyl)-N,4-dimethylcyclopentan-1-amine?
ethane;2-(2-fluoroethyl)-N,4-dimethylcyclopentan-1-amine has a molecular weight of 219.39 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(2-fluoroethyl)-N,4-dimethylcyclopentan-1-amine is sourced from PubChem (CID 145367548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).