trans-(1S,2R)-2-ethyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine

C15H23N — CID 45095253

IUPACtrans-(1S,2R)-2-ethyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine
SMILESCC[C@@H]1CCC[C@@H]1N[C@@H](C)c1ccccc1
InChIInChI=1S/C15H23N/c1-3-13-10-7-11-15(13)16-12(2)14-8-5-4-6-9-14/h4-6,8-9,12-13,15-16H,3,7,10-11H2,1-2H3/t12-,13+,15-/m0/s1
InChIKeyVVLUHMQJKASROW-GUTXKFCHSA-N
MW217.36 g/mol
LogP3.92
Rot. Bonds4

About trans-(1S,2R)-2-ethyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine

trans-(1S,2R)-2-ethyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine (PubChem CID 45095253) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is trans-(1S,2R)-2-ethyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2R)-2-ethyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine
PubChem CID45095253
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Nametrans-(1S,2R)-2-ethyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine
SMILESCC[C@@H]1CCC[C@@H]1N[C@@H](C)c1ccccc1
InChIInChI=1S/C15H23N/c1-3-13-10-7-11-15(13)16-12(2)14-8-5-4-6-9-14/h4-6,8-9,12-13,15-16H,3,7,10-11H2,1-2H3/t12-,13+,15-/m0/s1
InChIKeyVVLUHMQJKASROW-GUTXKFCHSA-N
XLogP3.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-ethyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine?
The IUPAC name of trans-(1S,2R)-2-ethyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine (CID 45095253) is trans-(1S,2R)-2-ethyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine.
What is the SMILES notation for trans-(1S,2R)-2-ethyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine?
The canonical SMILES for trans-(1S,2R)-2-ethyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine is CC[C@@H]1CCC[C@@H]1N[C@@H](C)c1ccccc1.
What is the InChIKey of trans-(1S,2R)-2-ethyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine?
The InChIKey is VVLUHMQJKASROW-GUTXKFCHSA-N. The full InChI is InChI=1S/C15H23N/c1-3-13-10-7-11-15(13)16-12(2)14-8-5-4-6-9-14/h4-6,8-9,12-13,15-16H,3,7,10-11H2,1-2H3/t12-,13+,15-/m0/s1.
What are the key properties of trans-(1S,2R)-2-ethyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine?
trans-(1S,2R)-2-ethyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine has a molecular weight of 217.36 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-ethyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine is sourced from PubChem (CID 45095253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).