3-(1-amino-3,3-dimethylbutyl)cyclobutan-1-ol

C10H21NO — CID 19354190

IUPAC3-(1-amino-3,3-dimethylbutyl)cyclobutan-1-ol
SMILESCC(C)(C)CC(N)C1CC(O)C1
InChIInChI=1S/C10H21NO/c1-10(2,3)6-9(11)7-4-8(12)5-7/h7-9,12H,4-6,11H2,1-3H3
InChIKeyYBVVGJHCUOFNSA-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.52
Rot. Bonds2

About 3-(1-amino-3,3-dimethylbutyl)cyclobutan-1-ol

3-(1-amino-3,3-dimethylbutyl)cyclobutan-1-ol (PubChem CID 19354190) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3-(1-amino-3,3-dimethylbutyl)cyclobutan-1-ol.

Molecular Properties

Compound Name3-(1-amino-3,3-dimethylbutyl)cyclobutan-1-ol
PubChem CID19354190
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3-(1-amino-3,3-dimethylbutyl)cyclobutan-1-ol
SMILESCC(C)(C)CC(N)C1CC(O)C1
InChIInChI=1S/C10H21NO/c1-10(2,3)6-9(11)7-4-8(12)5-7/h7-9,12H,4-6,11H2,1-3H3
InChIKeyYBVVGJHCUOFNSA-UHFFFAOYSA-N
XLogP1.52
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-amino-3,3-dimethylbutyl)cyclobutan-1-ol?
The IUPAC name of 3-(1-amino-3,3-dimethylbutyl)cyclobutan-1-ol (CID 19354190) is 3-(1-amino-3,3-dimethylbutyl)cyclobutan-1-ol.
What is the SMILES notation for 3-(1-amino-3,3-dimethylbutyl)cyclobutan-1-ol?
The canonical SMILES for 3-(1-amino-3,3-dimethylbutyl)cyclobutan-1-ol is CC(C)(C)CC(N)C1CC(O)C1.
What is the InChIKey of 3-(1-amino-3,3-dimethylbutyl)cyclobutan-1-ol?
The InChIKey is YBVVGJHCUOFNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-10(2,3)6-9(11)7-4-8(12)5-7/h7-9,12H,4-6,11H2,1-3H3.
What are the key properties of 3-(1-amino-3,3-dimethylbutyl)cyclobutan-1-ol?
3-(1-amino-3,3-dimethylbutyl)cyclobutan-1-ol has a molecular weight of 171.28 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-amino-3,3-dimethylbutyl)cyclobutan-1-ol is sourced from PubChem (CID 19354190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).