trans-(1S,2S)-2-(propan-2-ylamino)cyclobutan-1-ol

C7H15NO — CID 176810875

IUPACtrans-(1S,2S)-2-(propan-2-ylamino)cyclobutan-1-ol
SMILESCC(C)N[C@H]1CC[C@@H]1O
InChIInChI=1S/C7H15NO/c1-5(2)8-6-3-4-7(6)9/h5-9H,3-4H2,1-2H3/t6-,7-/m0/s1
InChIKeyALBDFGARCOPRPM-BQBZGAKWSA-N
MW129.20 g/mol
LogP0.51
Rot. Bonds2

About trans-(1S,2S)-2-(propan-2-ylamino)cyclobutan-1-ol

trans-(1S,2S)-2-(propan-2-ylamino)cyclobutan-1-ol (PubChem CID 176810875) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is trans-(1S,2S)-2-(propan-2-ylamino)cyclobutan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(propan-2-ylamino)cyclobutan-1-ol
PubChem CID176810875
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Nametrans-(1S,2S)-2-(propan-2-ylamino)cyclobutan-1-ol
SMILESCC(C)N[C@H]1CC[C@@H]1O
InChIInChI=1S/C7H15NO/c1-5(2)8-6-3-4-7(6)9/h5-9H,3-4H2,1-2H3/t6-,7-/m0/s1
InChIKeyALBDFGARCOPRPM-BQBZGAKWSA-N
XLogP0.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze trans-(1S,2S)-2-(propan-2-ylamino)cyclobutan-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-(propan-2-ylamino)cyclobutan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(propan-2-ylamino)cyclobutan-1-ol (CID 176810875) is trans-(1S,2S)-2-(propan-2-ylamino)cyclobutan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(propan-2-ylamino)cyclobutan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(propan-2-ylamino)cyclobutan-1-ol is CC(C)N[C@H]1CC[C@@H]1O.
What is the InChIKey of trans-(1S,2S)-2-(propan-2-ylamino)cyclobutan-1-ol?
The InChIKey is ALBDFGARCOPRPM-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H15NO/c1-5(2)8-6-3-4-7(6)9/h5-9H,3-4H2,1-2H3/t6-,7-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(propan-2-ylamino)cyclobutan-1-ol?
trans-(1S,2S)-2-(propan-2-ylamino)cyclobutan-1-ol has a molecular weight of 129.20 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-(1S,2S)-2-(propan-2-ylamino)cyclobutan-1-ol is sourced from PubChem (CID 176810875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).