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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Related Compounds

2-[(4,4-dimethylcycloheptyl)amino]cyclohexan-1-ol
CID 65083758
trans-(1R,2R)-2-(cyclopropylamino)cyclopentan-1-ol
CID 92555045
cis-(1S,2R)-2-(cyclobutylamino)cyclohexan-1-ol
CID 94414916
trans-(1R,2R)-2-(cyclopentylamino)cycloheptan-1-ol
CID 93383696
2-(cycloheptylamino)cyclopentan-1-ol
CID 60713716
trans-(1R,2R)-2-[(1,1-dioxothian-3-yl)amino]cyclobutan-1-ol
CID 130610256
trans-(1R,2R)-2-[(3-ethylcyclobutyl)amino]cyclobutan-1-ol
CID 130900725
N-(2,4-dimethylcyclohexyl)spiro[4.5]decan-8-amine
CID 114817674
2-[(1,1-dioxothietan-3-yl)amino]cyclohexan-1-ol
CID 131160518
trans-(1R,2R)-2-[(3,3-dimethylcyclohexyl)amino]cyclopentan-1-ol
CID 102733867
trans-(1R,2R)-2-(cyclopent-3-en-1-ylamino)cyclohexan-1-ol
CID 102731668
N-cyclopropyl-2,2-dioxo-2λ6-thiaspiro[3.5]nonan-7-amine
CID 165454557

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).