(1S,3R,4S)-3-ethyl-4-fluoro-N-propan-2-ylcyclopentan-1-amine

C10H20FN — CID 178006115

IUPAC(1S,3R,4S)-3-ethyl-4-fluoro-N-propan-2-ylcyclopentan-1-amine
SMILESCC[C@@H]1C[C@H](NC(C)C)C[C@@H]1F
InChIInChI=1S/C10H20FN/c1-4-8-5-9(6-10(8)11)12-7(2)3/h7-10,12H,4-6H2,1-3H3/t8-,9+,10+/m1/s1
InChIKeySTTCKTABIGBVTA-UTLUCORTSA-N
MW173.28 g/mol
LogP2.51
Rot. Bonds3

About (1S,3R,4S)-3-ethyl-4-fluoro-N-propan-2-ylcyclopentan-1-amine

(1S,3R,4S)-3-ethyl-4-fluoro-N-propan-2-ylcyclopentan-1-amine (PubChem CID 178006115) has the molecular formula C10H20FN and a molecular weight of 173.28 g/mol. Its IUPAC name is (1S,3R,4S)-3-ethyl-4-fluoro-N-propan-2-ylcyclopentan-1-amine.

Molecular Properties

Compound Name(1S,3R,4S)-3-ethyl-4-fluoro-N-propan-2-ylcyclopentan-1-amine
PubChem CID178006115
Molecular FormulaC10H20FN
Molecular Weight173.28 g/mol
Exact Mass173.16
IUPAC Name(1S,3R,4S)-3-ethyl-4-fluoro-N-propan-2-ylcyclopentan-1-amine
SMILESCC[C@@H]1C[C@H](NC(C)C)C[C@@H]1F
InChIInChI=1S/C10H20FN/c1-4-8-5-9(6-10(8)11)12-7(2)3/h7-10,12H,4-6H2,1-3H3/t8-,9+,10+/m1/s1
InChIKeySTTCKTABIGBVTA-UTLUCORTSA-N
XLogP2.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,3R,4S)-3-ethyl-4-fluoro-N-propan-2-ylcyclopentan-1-amine?
The IUPAC name of (1S,3R,4S)-3-ethyl-4-fluoro-N-propan-2-ylcyclopentan-1-amine (CID 178006115) is (1S,3R,4S)-3-ethyl-4-fluoro-N-propan-2-ylcyclopentan-1-amine.
What is the SMILES notation for (1S,3R,4S)-3-ethyl-4-fluoro-N-propan-2-ylcyclopentan-1-amine?
The canonical SMILES for (1S,3R,4S)-3-ethyl-4-fluoro-N-propan-2-ylcyclopentan-1-amine is CC[C@@H]1C[C@H](NC(C)C)C[C@@H]1F.
What is the InChIKey of (1S,3R,4S)-3-ethyl-4-fluoro-N-propan-2-ylcyclopentan-1-amine?
The InChIKey is STTCKTABIGBVTA-UTLUCORTSA-N. The full InChI is InChI=1S/C10H20FN/c1-4-8-5-9(6-10(8)11)12-7(2)3/h7-10,12H,4-6H2,1-3H3/t8-,9+,10+/m1/s1.
What are the key properties of (1S,3R,4S)-3-ethyl-4-fluoro-N-propan-2-ylcyclopentan-1-amine?
(1S,3R,4S)-3-ethyl-4-fluoro-N-propan-2-ylcyclopentan-1-amine has a molecular weight of 173.28 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,4S)-3-ethyl-4-fluoro-N-propan-2-ylcyclopentan-1-amine is sourced from PubChem (CID 178006115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).