trans-(1R,2R)-2-(spiro[2.5]octan-6-ylamino)cyclobutan-1-ol

C12H21NO — CID 130816129

IUPACtrans-(1R,2R)-2-(spiro[2.5]octan-6-ylamino)cyclobutan-1-ol
SMILESO[C@@H]1CC[C@H]1NC1CCC2(CC1)CC2
InChIInChI=1S/C12H21NO/c14-11-2-1-10(11)13-9-3-5-12(6-4-9)7-8-12/h9-11,13-14H,1-8H2/t10-,11-/m1/s1
InChIKeyXVIQTTZVWUMPKF-GHMZBOCLSA-N
MW195.31 g/mol
LogP1.82
Rot. Bonds2

About trans-(1R,2R)-2-(spiro[2.5]octan-6-ylamino)cyclobutan-1-ol

trans-(1R,2R)-2-(spiro[2.5]octan-6-ylamino)cyclobutan-1-ol (PubChem CID 130816129) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is trans-(1R,2R)-2-(spiro[2.5]octan-6-ylamino)cyclobutan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(spiro[2.5]octan-6-ylamino)cyclobutan-1-ol
PubChem CID130816129
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Nametrans-(1R,2R)-2-(spiro[2.5]octan-6-ylamino)cyclobutan-1-ol
SMILESO[C@@H]1CC[C@H]1NC1CCC2(CC1)CC2
InChIInChI=1S/C12H21NO/c14-11-2-1-10(11)13-9-3-5-12(6-4-9)7-8-12/h9-11,13-14H,1-8H2/t10-,11-/m1/s1
InChIKeyXVIQTTZVWUMPKF-GHMZBOCLSA-N
XLogP1.82
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(spiro[2.5]octan-6-ylamino)cyclobutan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(spiro[2.5]octan-6-ylamino)cyclobutan-1-ol (CID 130816129) is trans-(1R,2R)-2-(spiro[2.5]octan-6-ylamino)cyclobutan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(spiro[2.5]octan-6-ylamino)cyclobutan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(spiro[2.5]octan-6-ylamino)cyclobutan-1-ol is O[C@@H]1CC[C@H]1NC1CCC2(CC1)CC2.
What is the InChIKey of trans-(1R,2R)-2-(spiro[2.5]octan-6-ylamino)cyclobutan-1-ol?
The InChIKey is XVIQTTZVWUMPKF-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H21NO/c14-11-2-1-10(11)13-9-3-5-12(6-4-9)7-8-12/h9-11,13-14H,1-8H2/t10-,11-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(spiro[2.5]octan-6-ylamino)cyclobutan-1-ol?
trans-(1R,2R)-2-(spiro[2.5]octan-6-ylamino)cyclobutan-1-ol has a molecular weight of 195.31 g/mol, XLogP of 1.82, 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-(spiro[2.5]octan-6-ylamino)cyclobutan-1-ol is sourced from PubChem (CID 130816129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).