3-amino-2,2-dimethylcyclobutan-1-ol

C6H13NO — CID 75481529

IUPAC3-amino-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(N)CC1O
InChIInChI=1S/C6H13NO/c1-6(2)4(7)3-5(6)8/h4-5,8H,3,7H2,1-2H3
InChIKeyMLXIQOVWRZVXSV-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.10
Rot. Bonds

About 3-amino-2,2-dimethylcyclobutan-1-ol

3-amino-2,2-dimethylcyclobutan-1-ol (PubChem CID 75481529) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 3-amino-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-amino-2,2-dimethylcyclobutan-1-ol
PubChem CID75481529
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name3-amino-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(N)CC1O
InChIInChI=1S/C6H13NO/c1-6(2)4(7)3-5(6)8/h4-5,8H,3,7H2,1-2H3
InChIKeyMLXIQOVWRZVXSV-UHFFFAOYSA-N
XLogP0.10
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-amino-2,2-dimethylcyclobutan-1-ol (CID 75481529) is 3-amino-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-amino-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-amino-2,2-dimethylcyclobutan-1-ol is CC1(C)C(N)CC1O.
What is the InChIKey of 3-amino-2,2-dimethylcyclobutan-1-ol?
The InChIKey is MLXIQOVWRZVXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-6(2)4(7)3-5(6)8/h4-5,8H,3,7H2,1-2H3.
What are the key properties of 3-amino-2,2-dimethylcyclobutan-1-ol?
3-amino-2,2-dimethylcyclobutan-1-ol has a molecular weight of 115.18 g/mol, XLogP of 0.10, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 75481529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).