[(1S,2R)-2-(propan-2-ylamino)cyclopentyl]methanol

C9H19NO — CID 131068938

IUPAC[(1S,2R)-2-(propan-2-ylamino)cyclopentyl]methanol
SMILESCC(C)N[C@@H]1CCC[C@@H]1CO
InChIInChI=1S/C9H19NO/c1-7(2)10-9-5-3-4-8(9)6-11/h7-11H,3-6H2,1-2H3/t8-,9-/m1/s1
InChIKeyFIPRVLDREWFSEN-RKDXNWHRSA-N
MW157.26 g/mol
LogP1.15
Rot. Bonds3

About [(1S,2R)-2-(propan-2-ylamino)cyclopentyl]methanol

[(1S,2R)-2-(propan-2-ylamino)cyclopentyl]methanol (PubChem CID 131068938) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is [(1S,2R)-2-(propan-2-ylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[(1S,2R)-2-(propan-2-ylamino)cyclopentyl]methanol
PubChem CID131068938
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name[(1S,2R)-2-(propan-2-ylamino)cyclopentyl]methanol
SMILESCC(C)N[C@@H]1CCC[C@@H]1CO
InChIInChI=1S/C9H19NO/c1-7(2)10-9-5-3-4-8(9)6-11/h7-11H,3-6H2,1-2H3/t8-,9-/m1/s1
InChIKeyFIPRVLDREWFSEN-RKDXNWHRSA-N
XLogP1.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-(propan-2-ylamino)cyclopentyl]methanol?
The IUPAC name of [(1S,2R)-2-(propan-2-ylamino)cyclopentyl]methanol (CID 131068938) is [(1S,2R)-2-(propan-2-ylamino)cyclopentyl]methanol.
What is the SMILES notation for [(1S,2R)-2-(propan-2-ylamino)cyclopentyl]methanol?
The canonical SMILES for [(1S,2R)-2-(propan-2-ylamino)cyclopentyl]methanol is CC(C)N[C@@H]1CCC[C@@H]1CO.
What is the InChIKey of [(1S,2R)-2-(propan-2-ylamino)cyclopentyl]methanol?
The InChIKey is FIPRVLDREWFSEN-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H19NO/c1-7(2)10-9-5-3-4-8(9)6-11/h7-11H,3-6H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of [(1S,2R)-2-(propan-2-ylamino)cyclopentyl]methanol?
[(1S,2R)-2-(propan-2-ylamino)cyclopentyl]methanol has a molecular weight of 157.26 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-(propan-2-ylamino)cyclopentyl]methanol is sourced from PubChem (CID 131068938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).