trans-(1R,2R)-2-(but-2-ynylamino)cyclopentan-1-ol

C9H15NO — CID 102734054

IUPACtrans-(1R,2R)-2-(but-2-ynylamino)cyclopentan-1-ol
SMILESCC#CCN[C@@H]1CCC[C@H]1O
InChIInChI=1S/C9H15NO/c1-2-3-7-10-8-5-4-6-9(8)11/h8-11H,4-7H2,1H3/t8-,9-/m1/s1
InChIKeyDKDGOXTYNCWBPO-RKDXNWHRSA-N
MW153.23 g/mol
LogP0.51
Rot. Bonds2

About trans-(1R,2R)-2-(but-2-ynylamino)cyclopentan-1-ol

trans-(1R,2R)-2-(but-2-ynylamino)cyclopentan-1-ol (PubChem CID 102734054) has the molecular formula C9H15NO and a molecular weight of 153.23 g/mol. Its IUPAC name is trans-(1R,2R)-2-(but-2-ynylamino)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(but-2-ynylamino)cyclopentan-1-ol
PubChem CID102734054
Molecular FormulaC9H15NO
Molecular Weight153.23 g/mol
Exact Mass153.12
IUPAC Nametrans-(1R,2R)-2-(but-2-ynylamino)cyclopentan-1-ol
SMILESCC#CCN[C@@H]1CCC[C@H]1O
InChIInChI=1S/C9H15NO/c1-2-3-7-10-8-5-4-6-9(8)11/h8-11H,4-7H2,1H3/t8-,9-/m1/s1
InChIKeyDKDGOXTYNCWBPO-RKDXNWHRSA-N
XLogP0.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

trans-(1S,2S)-2-(ethylamino)cyclohexan-1-ol
CID 28660461
cis-(1R,2S)-2-(ethylamino)cyclohexan-1-ol
CID 28660465
2-(2,2-dimethylpropylamino)cyclopentan-1-ol
CID 61166650
trans-(1S,2S)-2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]ethylamino]cyclohexan-1-ol
CID 92759264
trans-(1S,2S)-2-(cyclopentylmethylamino)cyclopentan-1-ol
CID 93345953
trans-(1R,2R)-2-(2-aminoethylamino)cyclopentan-1-ol
CID 55289731
trans-(1S,2S)-2-(cyclobutylmethylamino)cyclohexan-1-ol
CID 93346202
trans-(1S,2S)-2-[(3-methyl-2-propan-2-ylbutyl)amino]cyclopentan-1-ol
CID 102905272
trans-(1R,2R)-2-[(2-methylcyclopropyl)methylamino]cyclopentan-1-ol
CID 102734052
2-[(2-methylcyclopentyl)methylamino]cyclopentan-1-ol
CID 107418182
trans-(1R,2R)-2-(3-hydroxybutylamino)cyclopentan-1-ol
CID 102733575
trans-(1R,2R)-2-[(2-methylcyclopentyl)methylamino]cyclopentan-1-ol
CID 107417907

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(but-2-ynylamino)cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(but-2-ynylamino)cyclopentan-1-ol (CID 102734054) is trans-(1R,2R)-2-(but-2-ynylamino)cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(but-2-ynylamino)cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(but-2-ynylamino)cyclopentan-1-ol is CC#CCN[C@@H]1CCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-(but-2-ynylamino)cyclopentan-1-ol?
The InChIKey is DKDGOXTYNCWBPO-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-3-7-10-8-5-4-6-9(8)11/h8-11H,4-7H2,1H3/t8-,9-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(but-2-ynylamino)cyclopentan-1-ol?
trans-(1R,2R)-2-(but-2-ynylamino)cyclopentan-1-ol has a molecular weight of 153.23 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(but-2-ynylamino)cyclopentan-1-ol is sourced from PubChem (CID 102734054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).