trans-(1S,3S)-N-(2,2-difluoroethyl)-3-methylcyclopentan-1-amine

C8H15F2N — CID 162591470

IUPACtrans-(1S,3S)-N-(2,2-difluoroethyl)-3-methylcyclopentan-1-amine
SMILESC[C@H]1CC[C@H](NCC(F)F)C1
InChIInChI=1S/C8H15F2N/c1-6-2-3-7(4-6)11-5-8(9)10/h6-8,11H,2-5H2,1H3/t6-,7-/m0/s1
InChIKeyCTGYXTASDTWVEJ-BQBZGAKWSA-N
MW163.21 g/mol
LogP2.03
Rot. Bonds3

About trans-(1S,3S)-N-(2,2-difluoroethyl)-3-methylcyclopentan-1-amine

trans-(1S,3S)-N-(2,2-difluoroethyl)-3-methylcyclopentan-1-amine (PubChem CID 162591470) has the molecular formula C8H15F2N and a molecular weight of 163.21 g/mol. Its IUPAC name is trans-(1S,3S)-N-(2,2-difluoroethyl)-3-methylcyclopentan-1-amine.

Molecular Properties

Compound Nametrans-(1S,3S)-N-(2,2-difluoroethyl)-3-methylcyclopentan-1-amine
PubChem CID162591470
Molecular FormulaC8H15F2N
Molecular Weight163.21 g/mol
Exact Mass163.12
IUPAC Nametrans-(1S,3S)-N-(2,2-difluoroethyl)-3-methylcyclopentan-1-amine
SMILESC[C@H]1CC[C@H](NCC(F)F)C1
InChIInChI=1S/C8H15F2N/c1-6-2-3-7(4-6)11-5-8(9)10/h6-8,11H,2-5H2,1H3/t6-,7-/m0/s1
InChIKeyCTGYXTASDTWVEJ-BQBZGAKWSA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.21
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-N-(3-methylcyclopentyl)propane-1,2-diamine
CID 114547299
N-[2-(2,2-difluoroethoxy)ethyl]-3-methylcyclopentan-1-amine
CID 103081083
N'-(3-methylcyclopentyl)-2-propan-2-ylpropane-1,3-diamine
CID 114547307
1-N-(3-methylcyclopentyl)hexane-1,2-diamine
CID 114547296
1-(dimethylamino)-3-[(3-methylcyclopentyl)amino]propan-2-ol
CID 115671208
N-(2-ethylhexyl)-3-methylcyclopentan-1-amine
CID 64500388
1-(1-cyclopropylethyl)-N-(2,2-difluoroethyl)-5-methylpiperidin-3-amine
CID 83993235
1-cyclohexyl-N-(2,2-difluoroethyl)-5-methylpiperidin-3-amine
CID 83993171
3-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]cyclopentan-1-amine
CID 64501752
N-(2,2-difluoroethyl)-3-ethylcyclohexan-1-amine
CID 64742405
2-[3-(2,2-difluoroethylamino)-5-methylpiperidin-1-yl]ethanol
CID 83993383
(5S)-N-(2,2-difluoroethyl)bicyclo[3.1.0]hexan-3-amine
CID 144866331

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-N-(2,2-difluoroethyl)-3-methylcyclopentan-1-amine?
The IUPAC name of trans-(1S,3S)-N-(2,2-difluoroethyl)-3-methylcyclopentan-1-amine (CID 162591470) is trans-(1S,3S)-N-(2,2-difluoroethyl)-3-methylcyclopentan-1-amine.
What is the SMILES notation for trans-(1S,3S)-N-(2,2-difluoroethyl)-3-methylcyclopentan-1-amine?
The canonical SMILES for trans-(1S,3S)-N-(2,2-difluoroethyl)-3-methylcyclopentan-1-amine is C[C@H]1CC[C@H](NCC(F)F)C1.
What is the InChIKey of trans-(1S,3S)-N-(2,2-difluoroethyl)-3-methylcyclopentan-1-amine?
The InChIKey is CTGYXTASDTWVEJ-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H15F2N/c1-6-2-3-7(4-6)11-5-8(9)10/h6-8,11H,2-5H2,1H3/t6-,7-/m0/s1.
What are the key properties of trans-(1S,3S)-N-(2,2-difluoroethyl)-3-methylcyclopentan-1-amine?
trans-(1S,3S)-N-(2,2-difluoroethyl)-3-methylcyclopentan-1-amine has a molecular weight of 163.21 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-N-(2,2-difluoroethyl)-3-methylcyclopentan-1-amine is sourced from PubChem (CID 162591470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).