(1S)-N-tert-butyl-3-(1-fluorobutan-2-yl)cyclopentan-1-amine

C13H26FN — CID 167249487

IUPAC(1S)-N-tert-butyl-3-(1-fluorobutan-2-yl)cyclopentan-1-amine
SMILESCCC(CF)C1CC[C@H](NC(C)(C)C)C1
InChIInChI=1S/C13H26FN/c1-5-10(9-14)11-6-7-12(8-11)15-13(2,3)4/h10-12,15H,5-9H2,1-4H3/t10?,11?,12-/m0/s1
InChIKeyZDFNMOZKRVUGMK-MCIGGMRASA-N
MW215.36 g/mol
LogP3.54
Rot. Bonds4

About (1S)-N-tert-butyl-3-(1-fluorobutan-2-yl)cyclopentan-1-amine

(1S)-N-tert-butyl-3-(1-fluorobutan-2-yl)cyclopentan-1-amine (PubChem CID 167249487) has the molecular formula C13H26FN and a molecular weight of 215.36 g/mol. Its IUPAC name is (1S)-N-tert-butyl-3-(1-fluorobutan-2-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name(1S)-N-tert-butyl-3-(1-fluorobutan-2-yl)cyclopentan-1-amine
PubChem CID167249487
Molecular FormulaC13H26FN
Molecular Weight215.36 g/mol
Exact Mass215.20
IUPAC Name(1S)-N-tert-butyl-3-(1-fluorobutan-2-yl)cyclopentan-1-amine
SMILESCCC(CF)C1CC[C@H](NC(C)(C)C)C1
InChIInChI=1S/C13H26FN/c1-5-10(9-14)11-6-7-12(8-11)15-13(2,3)4/h10-12,15H,5-9H2,1-4H3/t10?,11?,12-/m0/s1
InChIKeyZDFNMOZKRVUGMK-MCIGGMRASA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-tert-butyl-3-(1-fluorobutan-2-yl)cyclopentan-1-amine?
The IUPAC name of (1S)-N-tert-butyl-3-(1-fluorobutan-2-yl)cyclopentan-1-amine (CID 167249487) is (1S)-N-tert-butyl-3-(1-fluorobutan-2-yl)cyclopentan-1-amine.
What is the SMILES notation for (1S)-N-tert-butyl-3-(1-fluorobutan-2-yl)cyclopentan-1-amine?
The canonical SMILES for (1S)-N-tert-butyl-3-(1-fluorobutan-2-yl)cyclopentan-1-amine is CCC(CF)C1CC[C@H](NC(C)(C)C)C1.
What is the InChIKey of (1S)-N-tert-butyl-3-(1-fluorobutan-2-yl)cyclopentan-1-amine?
The InChIKey is ZDFNMOZKRVUGMK-MCIGGMRASA-N. The full InChI is InChI=1S/C13H26FN/c1-5-10(9-14)11-6-7-12(8-11)15-13(2,3)4/h10-12,15H,5-9H2,1-4H3/t10?,11?,12-/m0/s1.
What are the key properties of (1S)-N-tert-butyl-3-(1-fluorobutan-2-yl)cyclopentan-1-amine?
(1S)-N-tert-butyl-3-(1-fluorobutan-2-yl)cyclopentan-1-amine has a molecular weight of 215.36 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-tert-butyl-3-(1-fluorobutan-2-yl)cyclopentan-1-amine is sourced from PubChem (CID 167249487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).