cis-(1R,2S)-N-[1-(2,2-dimethylcyclopropyl)ethyl]-2-fluorocyclopentan-1-amine

C12H22FN — CID 130653998

IUPACcis-(1R,2S)-N-[1-(2,2-dimethylcyclopropyl)ethyl]-2-fluorocyclopentan-1-amine
SMILESCC(N[C@@H]1CCC[C@@H]1F)C1CC1(C)C
InChIInChI=1S/C12H22FN/c1-8(9-7-12(9,2)3)14-11-6-4-5-10(11)13/h8-11,14H,4-7H2,1-3H3/t8?,9?,10-,11+/m0/s1
InChIKeyHSAKALVIMWGTPN-WFBLGPOFSA-N
MW199.31 g/mol
LogP2.90
Rot. Bonds3

About cis-(1R,2S)-N-[1-(2,2-dimethylcyclopropyl)ethyl]-2-fluorocyclopentan-1-amine

cis-(1R,2S)-N-[1-(2,2-dimethylcyclopropyl)ethyl]-2-fluorocyclopentan-1-amine (PubChem CID 130653998) has the molecular formula C12H22FN and a molecular weight of 199.31 g/mol. Its IUPAC name is cis-(1R,2S)-N-[1-(2,2-dimethylcyclopropyl)ethyl]-2-fluorocyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1R,2S)-N-[1-(2,2-dimethylcyclopropyl)ethyl]-2-fluorocyclopentan-1-amine
PubChem CID130653998
Molecular FormulaC12H22FN
Molecular Weight199.31 g/mol
Exact Mass199.17
IUPAC Namecis-(1R,2S)-N-[1-(2,2-dimethylcyclopropyl)ethyl]-2-fluorocyclopentan-1-amine
SMILESCC(N[C@@H]1CCC[C@@H]1F)C1CC1(C)C
InChIInChI=1S/C12H22FN/c1-8(9-7-12(9,2)3)14-11-6-4-5-10(11)13/h8-11,14H,4-7H2,1-3H3/t8?,9?,10-,11+/m0/s1
InChIKeyHSAKALVIMWGTPN-WFBLGPOFSA-N
XLogP2.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-tert-butyl-N-cyclopropylcyclobutan-1-amine hydrochloride
CID 121553319
3-Fluoro-4-(1-methylcyclopropyl)pyrrolidine
CID 59048024
6-fluoro-2,4,4,5-tetramethyl-N-(4,4,5,5-tetramethylhexan-2-yl)hexan-2-amine
CID 88915252
4-Tert-butyl-2-(trifluoromethyl)pyrrolidine
CID 122428329
[(1-Fluorocyclopentyl)methyl](propan-2-yl)amine
CID 126847984
N-[(3,3-difluorocyclopentyl)methyl]propan-2-amine
CID 130477526
N-ethyl-2-fluoro-3,3-dimethyl-2-(1-methylcyclopropyl)butan-1-amine
CID 138526512
1-(2,2-dimethylcyclopropyl)-1-fluoro-N-(2-fluoroethyl)-2,2-dimethylpropan-1-amine
CID 146647488
3,3,4,4-tetramethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-1-amine
CID 153456712
(3S)-3,4,4-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-1-amine
CID 153456758
(3R)-3,4,4-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-1-amine
CID 153456820
(4R)-4-cyclopropyl-4-fluoro-2-methylpyrrolidine
CID 154956017

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-[1-(2,2-dimethylcyclopropyl)ethyl]-2-fluorocyclopentan-1-amine?
The IUPAC name of cis-(1R,2S)-N-[1-(2,2-dimethylcyclopropyl)ethyl]-2-fluorocyclopentan-1-amine (CID 130653998) is cis-(1R,2S)-N-[1-(2,2-dimethylcyclopropyl)ethyl]-2-fluorocyclopentan-1-amine.
What is the SMILES notation for cis-(1R,2S)-N-[1-(2,2-dimethylcyclopropyl)ethyl]-2-fluorocyclopentan-1-amine?
The canonical SMILES for cis-(1R,2S)-N-[1-(2,2-dimethylcyclopropyl)ethyl]-2-fluorocyclopentan-1-amine is CC(N[C@@H]1CCC[C@@H]1F)C1CC1(C)C.
What is the InChIKey of cis-(1R,2S)-N-[1-(2,2-dimethylcyclopropyl)ethyl]-2-fluorocyclopentan-1-amine?
The InChIKey is HSAKALVIMWGTPN-WFBLGPOFSA-N. The full InChI is InChI=1S/C12H22FN/c1-8(9-7-12(9,2)3)14-11-6-4-5-10(11)13/h8-11,14H,4-7H2,1-3H3/t8?,9?,10-,11+/m0/s1.
What are the key properties of cis-(1R,2S)-N-[1-(2,2-dimethylcyclopropyl)ethyl]-2-fluorocyclopentan-1-amine?
cis-(1R,2S)-N-[1-(2,2-dimethylcyclopropyl)ethyl]-2-fluorocyclopentan-1-amine has a molecular weight of 199.31 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-[1-(2,2-dimethylcyclopropyl)ethyl]-2-fluorocyclopentan-1-amine is sourced from PubChem (CID 130653998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).