trans-(1R,2R)-2-fluoro-N-propan-2-ylcyclopentan-1-amine

C8H16FN — CID 126847843

IUPACtrans-(1R,2R)-2-fluoro-N-propan-2-ylcyclopentan-1-amine
SMILESCC(C)N[C@@H]1CCC[C@H]1F
InChIInChI=1S/C8H16FN/c1-6(2)10-8-5-3-4-7(8)9/h6-8,10H,3-5H2,1-2H3/t7-,8-/m1/s1
InChIKeyDDJXGSIKOOHKQM-HTQZYQBOSA-N
MW145.22 g/mol
LogP1.88
Rot. Bonds2

About trans-(1R,2R)-2-fluoro-N-propan-2-ylcyclopentan-1-amine

trans-(1R,2R)-2-fluoro-N-propan-2-ylcyclopentan-1-amine (PubChem CID 126847843) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is trans-(1R,2R)-2-fluoro-N-propan-2-ylcyclopentan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-2-fluoro-N-propan-2-ylcyclopentan-1-amine
PubChem CID126847843
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC Nametrans-(1R,2R)-2-fluoro-N-propan-2-ylcyclopentan-1-amine
SMILESCC(C)N[C@@H]1CCC[C@H]1F
InChIInChI=1S/C8H16FN/c1-6(2)10-8-5-3-4-7(8)9/h6-8,10H,3-5H2,1-2H3/t7-,8-/m1/s1
InChIKeyDDJXGSIKOOHKQM-HTQZYQBOSA-N
XLogP1.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.22
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1S,2S)-2-fluoro-N-propan-2-ylcyclohexan-1-amine
CID 165095676
trans-(1R,2R)-N-butan-2-yl-2-fluorocyclohexan-1-amine
CID 126847801
(3S,4R)-4-fluoro-N-propan-2-ylpiperidin-3-amine
CID 164821452
3-fluoro-N-propan-2-ylpiperidin-4-amine
CID 59304222
2-methoxy-N-propan-2-ylcyclopentan-1-amine
CID 62088372
cis-(1R,2S)-2-methoxy-N-propan-2-ylcyclopentan-1-amine
CID 94347863
(3S,4R)-3-fluoro-1-methyl-N-propan-2-ylpiperidin-4-amine
CID 171638746
1,3-difluoro-N-propan-2-ylpiperidin-4-amine
CID 174849475
(2S)-N,2-di(propan-2-yl)cyclopentan-1-amine
CID 90381453
N-[(1R,2S)-2-fluorocyclopentyl]methanesulfonamide
CID 130766267
trans-(1R,2R)-N-ethyl-2-fluorocyclopentan-1-amine
CID 126847838
cis-(1R,2S)-2-fluoro-N-methylcyclohexan-1-amine;hydrochloride
CID 164886232

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-fluoro-N-propan-2-ylcyclopentan-1-amine?
The IUPAC name of trans-(1R,2R)-2-fluoro-N-propan-2-ylcyclopentan-1-amine (CID 126847843) is trans-(1R,2R)-2-fluoro-N-propan-2-ylcyclopentan-1-amine.
What is the SMILES notation for trans-(1R,2R)-2-fluoro-N-propan-2-ylcyclopentan-1-amine?
The canonical SMILES for trans-(1R,2R)-2-fluoro-N-propan-2-ylcyclopentan-1-amine is CC(C)N[C@@H]1CCC[C@H]1F.
What is the InChIKey of trans-(1R,2R)-2-fluoro-N-propan-2-ylcyclopentan-1-amine?
The InChIKey is DDJXGSIKOOHKQM-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H16FN/c1-6(2)10-8-5-3-4-7(8)9/h6-8,10H,3-5H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of trans-(1R,2R)-2-fluoro-N-propan-2-ylcyclopentan-1-amine?
trans-(1R,2R)-2-fluoro-N-propan-2-ylcyclopentan-1-amine has a molecular weight of 145.22 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-fluoro-N-propan-2-ylcyclopentan-1-amine is sourced from PubChem (CID 126847843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).