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

C6H14ClNO — CID 126970325

IUPACcis-(1S,3R)-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+;/m1./s1
InChIKeyITVWYQLMVRTELZ-JBUOLDKXSA-N
MW151.64 g/mol
LogP0.53
Rot. Bonds

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

cis-(1S,3R)-3-amino-2,2-dimethylcyclobutan-1-ol;hydrochloride (PubChem CID 126970325) has the molecular formula C6H14ClNO and a molecular weight of 151.64 g/mol. Its IUPAC name is cis-(1S,3R)-3-amino-2,2-dimethylcyclobutan-1-ol;hydrochloride.

Molecular Properties

Compound Namecis-(1S,3R)-3-amino-2,2-dimethylcyclobutan-1-ol;hydrochloride
PubChem CID126970325
Molecular FormulaC6H14ClNO
Molecular Weight151.64 g/mol
Exact Mass151.08
IUPAC Namecis-(1S,3R)-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+;/m1./s1
InChIKeyITVWYQLMVRTELZ-JBUOLDKXSA-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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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-amino-2,2-dimethylcyclobutan-1-ol;hydrochloride?
The IUPAC name of cis-(1S,3R)-3-amino-2,2-dimethylcyclobutan-1-ol;hydrochloride (CID 126970325) is cis-(1S,3R)-3-amino-2,2-dimethylcyclobutan-1-ol;hydrochloride.
What is the SMILES notation for cis-(1S,3R)-3-amino-2,2-dimethylcyclobutan-1-ol;hydrochloride?
The canonical SMILES for cis-(1S,3R)-3-amino-2,2-dimethylcyclobutan-1-ol;hydrochloride is CC1(C)[C@H](N)C[C@@H]1O.Cl.
What is the InChIKey of cis-(1S,3R)-3-amino-2,2-dimethylcyclobutan-1-ol;hydrochloride?
The InChIKey is ITVWYQLMVRTELZ-JBUOLDKXSA-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+;/m1./s1.
What are the key properties of cis-(1S,3R)-3-amino-2,2-dimethylcyclobutan-1-ol;hydrochloride?
cis-(1S,3R)-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 cis-(1S,3R)-3-amino-2,2-dimethylcyclobutan-1-ol;hydrochloride is sourced from PubChem (CID 126970325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).