trans-(1S,2S)-2-(2-methylbut-3-yn-2-ylamino)cyclopentan-1-ol

C10H17NO — CID 102733511

IUPACtrans-(1S,2S)-2-(2-methylbut-3-yn-2-ylamino)cyclopentan-1-ol
SMILESC#CC(C)(C)N[C@H]1CCC[C@@H]1O
InChIInChI=1S/C10H17NO/c1-4-10(2,3)11-8-6-5-7-9(8)12/h1,8-9,11-12H,5-7H2,2-3H3/t8-,9-/m0/s1
InChIKeyIYVXLXXXOBIKDM-IUCAKERBSA-N
MW167.25 g/mol
LogP0.90
Rot. Bonds2

About trans-(1S,2S)-2-(2-methylbut-3-yn-2-ylamino)cyclopentan-1-ol

trans-(1S,2S)-2-(2-methylbut-3-yn-2-ylamino)cyclopentan-1-ol (PubChem CID 102733511) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is trans-(1S,2S)-2-(2-methylbut-3-yn-2-ylamino)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(2-methylbut-3-yn-2-ylamino)cyclopentan-1-ol
PubChem CID102733511
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Nametrans-(1S,2S)-2-(2-methylbut-3-yn-2-ylamino)cyclopentan-1-ol
SMILESC#CC(C)(C)N[C@H]1CCC[C@@H]1O
InChIInChI=1S/C10H17NO/c1-4-10(2,3)11-8-6-5-7-9(8)12/h1,8-9,11-12H,5-7H2,2-3H3/t8-,9-/m0/s1
InChIKeyIYVXLXXXOBIKDM-IUCAKERBSA-N
XLogP0.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze trans-(1S,2S)-2-(2-methylbut-3-yn-2-ylamino)cyclopentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(2-methylbut-3-yn-2-ylamino)cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(2-methylbut-3-yn-2-ylamino)cyclopentan-1-ol (CID 102733511) is trans-(1S,2S)-2-(2-methylbut-3-yn-2-ylamino)cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(2-methylbut-3-yn-2-ylamino)cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(2-methylbut-3-yn-2-ylamino)cyclopentan-1-ol is C#CC(C)(C)N[C@H]1CCC[C@@H]1O.
What is the InChIKey of trans-(1S,2S)-2-(2-methylbut-3-yn-2-ylamino)cyclopentan-1-ol?
The InChIKey is IYVXLXXXOBIKDM-IUCAKERBSA-N. The full InChI is InChI=1S/C10H17NO/c1-4-10(2,3)11-8-6-5-7-9(8)12/h1,8-9,11-12H,5-7H2,2-3H3/t8-,9-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(2-methylbut-3-yn-2-ylamino)cyclopentan-1-ol?
trans-(1S,2S)-2-(2-methylbut-3-yn-2-ylamino)cyclopentan-1-ol has a molecular weight of 167.25 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(2-methylbut-3-yn-2-ylamino)cyclopentan-1-ol is sourced from PubChem (CID 102733511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).