trans-(1S,3S)-3-amino-2,2-dimethylcyclobutan-1-ol;hydrochloride

C6H14ClNO — CID 135905358

IUPACtrans-(1S,3S)-3-amino-2,2-dimethylcyclobutan-1-ol;hydrochloride
SMILESCC1(C)[C@@H](N)C[C@@H]1O.Cl
InChIInChI=1S/C6H13NO.ClH/c1-6(2)4(7)3-5(6)8;/h4-5,8H,3,7H2,1-2H3;1H/t4-,5-;/m0./s1
InChIKeyITVWYQLMVRTELZ-FHAQVOQBSA-N
MW151.64 g/mol
LogP0.53
Rot. Bonds

About trans-(1S,3S)-3-amino-2,2-dimethylcyclobutan-1-ol;hydrochloride

trans-(1S,3S)-3-amino-2,2-dimethylcyclobutan-1-ol;hydrochloride (PubChem CID 135905358) has the molecular formula C6H14ClNO and a molecular weight of 151.64 g/mol. Its IUPAC name is trans-(1S,3S)-3-amino-2,2-dimethylcyclobutan-1-ol;hydrochloride.

Molecular Properties

Compound Nametrans-(1S,3S)-3-amino-2,2-dimethylcyclobutan-1-ol;hydrochloride
PubChem CID135905358
Molecular FormulaC6H14ClNO
Molecular Weight151.64 g/mol
Exact Mass151.08
IUPAC Nametrans-(1S,3S)-3-amino-2,2-dimethylcyclobutan-1-ol;hydrochloride
SMILESCC1(C)[C@@H](N)C[C@@H]1O.Cl
InChIInChI=1S/C6H13NO.ClH/c1-6(2)4(7)3-5(6)8;/h4-5,8H,3,7H2,1-2H3;1H/t4-,5-;/m0./s1
InChIKeyITVWYQLMVRTELZ-FHAQVOQBSA-N
XLogP0.53
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.64
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclobutanol, 3-amino-2,2,4,4-tetramethyl-
CID 203376
(1-(1-Aminoethyl)cyclobutyl)methanol
CID 69063503
3-Amino-2,2-dimethylcyclobutan-1-ol hydrochloride
CID 75481528
3-Methoxy-2,2-dimethylcyclobutan-1-amine
CID 66357768
3-(Aminomethyl)-3-(hydroxymethyl)cyclobutan-1-ol hydrochloride
CID 120999861
rac-(1R,4S)-4-amino-2,2-dimethylcyclobutan-1-ol hydrochloride
CID 137943933
3-Amino-2,2,4,4-tetramethylcyclobutan-1-ol hydrochloride
CID 138987813
3-Amino-2-methylcyclobutan-1-ol
CID 165589103
(2-Amino-1-methylcyclobutyl)methanol hydrochloride
CID 165881030
3-Amino-2,2-dimethylcyclobutanol
CID 75481529
Cyclobutanol, 3-amino-2,2-dimethyl-, hydrochloride (1:1), (1R,3S)-rel-
CID 91663854
rac-(1R,4S)-4-amino-2,2-dimethylcyclobutan-1-ol
CID 137943934

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-amino-2,2-dimethylcyclobutan-1-ol;hydrochloride?
The IUPAC name of trans-(1S,3S)-3-amino-2,2-dimethylcyclobutan-1-ol;hydrochloride (CID 135905358) is trans-(1S,3S)-3-amino-2,2-dimethylcyclobutan-1-ol;hydrochloride.
What is the SMILES notation for trans-(1S,3S)-3-amino-2,2-dimethylcyclobutan-1-ol;hydrochloride?
The canonical SMILES for trans-(1S,3S)-3-amino-2,2-dimethylcyclobutan-1-ol;hydrochloride is CC1(C)[C@@H](N)C[C@@H]1O.Cl.
What is the InChIKey of trans-(1S,3S)-3-amino-2,2-dimethylcyclobutan-1-ol;hydrochloride?
The InChIKey is ITVWYQLMVRTELZ-FHAQVOQBSA-N. The full InChI is InChI=1S/C6H13NO.ClH/c1-6(2)4(7)3-5(6)8;/h4-5,8H,3,7H2,1-2H3;1H/t4-,5-;/m0./s1.
What are the key properties of trans-(1S,3S)-3-amino-2,2-dimethylcyclobutan-1-ol;hydrochloride?
trans-(1S,3S)-3-amino-2,2-dimethylcyclobutan-1-ol;hydrochloride has a molecular weight of 151.64 g/mol, XLogP of 0.53, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-3-amino-2,2-dimethylcyclobutan-1-ol;hydrochloride is sourced from PubChem (CID 135905358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).