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

C7H16ClNO2 — CID 146050339

IUPAC3-amino-3-(hydroxymethyl)-2,2-dimethylcyclobutan-1-ol;hydrochloride
SMILESCC1(C)C(O)CC1(N)CO.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-6(2)5(10)3-7(6,8)4-9;/h5,9-10H,3-4,8H2,1-2H3;1H
InChIKeyXKXAJYCINSWMPV-UHFFFAOYSA-N
MW181.66 g/mol
LogP-0.11
Rot. Bonds1

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

3-amino-3-(hydroxymethyl)-2,2-dimethylcyclobutan-1-ol;hydrochloride (PubChem CID 146050339) has the molecular formula C7H16ClNO2 and a molecular weight of 181.66 g/mol. Its IUPAC name is 3-amino-3-(hydroxymethyl)-2,2-dimethylcyclobutan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-amino-3-(hydroxymethyl)-2,2-dimethylcyclobutan-1-ol;hydrochloride
PubChem CID146050339
Molecular FormulaC7H16ClNO2
Molecular Weight181.66 g/mol
Exact Mass181.09
IUPAC Name3-amino-3-(hydroxymethyl)-2,2-dimethylcyclobutan-1-ol;hydrochloride
SMILESCC1(C)C(O)CC1(N)CO.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-6(2)5(10)3-7(6,8)4-9;/h5,9-10H,3-4,8H2,1-2H3;1H
InChIKeyXKXAJYCINSWMPV-UHFFFAOYSA-N
XLogP-0.11
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.66
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(hydroxymethyl)-2,2-dimethylcyclobutan-1-ol;hydrochloride?
The IUPAC name of 3-amino-3-(hydroxymethyl)-2,2-dimethylcyclobutan-1-ol;hydrochloride (CID 146050339) is 3-amino-3-(hydroxymethyl)-2,2-dimethylcyclobutan-1-ol;hydrochloride.
What is the SMILES notation for 3-amino-3-(hydroxymethyl)-2,2-dimethylcyclobutan-1-ol;hydrochloride?
The canonical SMILES for 3-amino-3-(hydroxymethyl)-2,2-dimethylcyclobutan-1-ol;hydrochloride is CC1(C)C(O)CC1(N)CO.Cl.
What is the InChIKey of 3-amino-3-(hydroxymethyl)-2,2-dimethylcyclobutan-1-ol;hydrochloride?
The InChIKey is XKXAJYCINSWMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.ClH/c1-6(2)5(10)3-7(6,8)4-9;/h5,9-10H,3-4,8H2,1-2H3;1H.
What are the key properties of 3-amino-3-(hydroxymethyl)-2,2-dimethylcyclobutan-1-ol;hydrochloride?
3-amino-3-(hydroxymethyl)-2,2-dimethylcyclobutan-1-ol;hydrochloride has a molecular weight of 181.66 g/mol, XLogP of -0.11, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(hydroxymethyl)-2,2-dimethylcyclobutan-1-ol;hydrochloride is sourced from PubChem (CID 146050339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).