[(1S,2R)-2-(tert-butylamino)cyclopentyl]methanol

C10H21NO — CID 177078719

IUPAC[(1S,2R)-2-(tert-butylamino)cyclopentyl]methanol
SMILESCC(C)(C)N[C@@H]1CCC[C@@H]1CO
InChIInChI=1S/C10H21NO/c1-10(2,3)11-9-6-4-5-8(9)7-12/h8-9,11-12H,4-7H2,1-3H3/t8-,9-/m1/s1
InChIKeyGUQWHJYFEVEPKS-RKDXNWHRSA-N
MW171.28 g/mol
LogP1.54
Rot. Bonds2

About [(1S,2R)-2-(tert-butylamino)cyclopentyl]methanol

[(1S,2R)-2-(tert-butylamino)cyclopentyl]methanol (PubChem CID 177078719) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is [(1S,2R)-2-(tert-butylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[(1S,2R)-2-(tert-butylamino)cyclopentyl]methanol
PubChem CID177078719
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name[(1S,2R)-2-(tert-butylamino)cyclopentyl]methanol
SMILESCC(C)(C)N[C@@H]1CCC[C@@H]1CO
InChIInChI=1S/C10H21NO/c1-10(2,3)11-9-6-4-5-8(9)7-12/h8-9,11-12H,4-7H2,1-3H3/t8-,9-/m1/s1
InChIKeyGUQWHJYFEVEPKS-RKDXNWHRSA-N
XLogP1.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-(tert-butylamino)cyclopentyl]methanol?
The IUPAC name of [(1S,2R)-2-(tert-butylamino)cyclopentyl]methanol (CID 177078719) is [(1S,2R)-2-(tert-butylamino)cyclopentyl]methanol.
What is the SMILES notation for [(1S,2R)-2-(tert-butylamino)cyclopentyl]methanol?
The canonical SMILES for [(1S,2R)-2-(tert-butylamino)cyclopentyl]methanol is CC(C)(C)N[C@@H]1CCC[C@@H]1CO.
What is the InChIKey of [(1S,2R)-2-(tert-butylamino)cyclopentyl]methanol?
The InChIKey is GUQWHJYFEVEPKS-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H21NO/c1-10(2,3)11-9-6-4-5-8(9)7-12/h8-9,11-12H,4-7H2,1-3H3/t8-,9-/m1/s1.
What are the key properties of [(1S,2R)-2-(tert-butylamino)cyclopentyl]methanol?
[(1S,2R)-2-(tert-butylamino)cyclopentyl]methanol has a molecular weight of 171.28 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-(tert-butylamino)cyclopentyl]methanol is sourced from PubChem (CID 177078719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).