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

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Related Compounds

(2R)-2-(propan-2-ylamino)cycloheptan-1-ol
CID 166814951
trans-(1R,2R)-2-(1-cyclopropylethylamino)cyclobutan-1-ol
CID 130608509
trans-(1S,2S)-2-(3-methylbutan-2-ylamino)cyclopentan-1-ol
CID 102733069
trans-(1R,2R)-2-[[(2S)-3-methylbutan-2-yl]amino]cyclopentan-1-ol
CID 167275295
cis-(1S,2R)-2-[[(1R)-1-phenylethyl]amino]cyclobutan-1-ol
CID 10609367
trans-(1R,2R)-2-[[(1S)-1-cyclopropylethyl]amino]cyclohexan-1-ol
CID 124679605
trans-(1R,2R)-2-(3-methylbutan-2-ylamino)cycloheptan-1-ol
CID 130690757
4-(propan-2-ylamino)cyclohexane-1,2-diol
CID 140651250
(3S,4S)-4-(propan-2-ylamino)oxolan-3-ol
CID 93383484
2-(3,3-dimethylbutan-2-ylamino)cyclohexan-1-ol
CID 104828064
trans-(1R,2R)-2-[[(2S)-butan-2-yl]amino]cyclohexan-1-ol
CID 124679613
2-[[(1R)-1-cyclopentylethyl]amino]cycloheptan-1-ol
CID 81395053

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).