trans-(1R,2R)-2-(tert-butylamino)cyclopentan-1-ol

C9H19NO — CID 14938219

IUPACtrans-(1R,2R)-2-(tert-butylamino)cyclopentan-1-ol
SMILESCC(C)(C)N[C@@H]1CCC[C@H]1O
InChIInChI=1S/C9H19NO/c1-9(2,3)10-7-5-4-6-8(7)11/h7-8,10-11H,4-6H2,1-3H3/t7-,8-/m1/s1
InChIKeyQERSUMFLRHQPON-HTQZYQBOSA-N
MW157.26 g/mol
LogP1.29
Rot. Bonds1

About trans-(1R,2R)-2-(tert-butylamino)cyclopentan-1-ol

trans-(1R,2R)-2-(tert-butylamino)cyclopentan-1-ol (PubChem CID 14938219) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is trans-(1R,2R)-2-(tert-butylamino)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(tert-butylamino)cyclopentan-1-ol
PubChem CID14938219
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Nametrans-(1R,2R)-2-(tert-butylamino)cyclopentan-1-ol
SMILESCC(C)(C)N[C@@H]1CCC[C@H]1O
InChIInChI=1S/C9H19NO/c1-9(2,3)10-7-5-4-6-8(7)11/h7-8,10-11H,4-6H2,1-3H3/t7-,8-/m1/s1
InChIKeyQERSUMFLRHQPON-HTQZYQBOSA-N
XLogP1.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(tert-butylamino)cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(tert-butylamino)cyclopentan-1-ol (CID 14938219) is trans-(1R,2R)-2-(tert-butylamino)cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(tert-butylamino)cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(tert-butylamino)cyclopentan-1-ol is CC(C)(C)N[C@@H]1CCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-(tert-butylamino)cyclopentan-1-ol?
The InChIKey is QERSUMFLRHQPON-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H19NO/c1-9(2,3)10-7-5-4-6-8(7)11/h7-8,10-11H,4-6H2,1-3H3/t7-,8-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(tert-butylamino)cyclopentan-1-ol?
trans-(1R,2R)-2-(tert-butylamino)cyclopentan-1-ol has a molecular weight of 157.26 g/mol, XLogP of 1.29, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(tert-butylamino)cyclopentan-1-ol is sourced from PubChem (CID 14938219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).