3-amino-3-cycloheptyl-1-methylcyclobutan-1-ol

C12H23NO — CID 115021199

IUPAC3-amino-3-cycloheptyl-1-methylcyclobutan-1-ol
SMILESCC1(O)CC(N)(C2CCCCCC2)C1
InChIInChI=1S/C12H23NO/c1-11(14)8-12(13,9-11)10-6-4-2-3-5-7-10/h10,14H,2-9,13H2,1H3
InChIKeyXLTKJXHQSKGTNN-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.20
Rot. Bonds1

About 3-amino-3-cycloheptyl-1-methylcyclobutan-1-ol

3-amino-3-cycloheptyl-1-methylcyclobutan-1-ol (PubChem CID 115021199) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-amino-3-cycloheptyl-1-methylcyclobutan-1-ol.

Molecular Properties

Compound Name3-amino-3-cycloheptyl-1-methylcyclobutan-1-ol
PubChem CID115021199
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-amino-3-cycloheptyl-1-methylcyclobutan-1-ol
SMILESCC1(O)CC(N)(C2CCCCCC2)C1
InChIInChI=1S/C12H23NO/c1-11(14)8-12(13,9-11)10-6-4-2-3-5-7-10/h10,14H,2-9,13H2,1H3
InChIKeyXLTKJXHQSKGTNN-UHFFFAOYSA-N
XLogP2.20
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-cycloheptyl-1-methylcyclobutan-1-ol?
The IUPAC name of 3-amino-3-cycloheptyl-1-methylcyclobutan-1-ol (CID 115021199) is 3-amino-3-cycloheptyl-1-methylcyclobutan-1-ol.
What is the SMILES notation for 3-amino-3-cycloheptyl-1-methylcyclobutan-1-ol?
The canonical SMILES for 3-amino-3-cycloheptyl-1-methylcyclobutan-1-ol is CC1(O)CC(N)(C2CCCCCC2)C1.
What is the InChIKey of 3-amino-3-cycloheptyl-1-methylcyclobutan-1-ol?
The InChIKey is XLTKJXHQSKGTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-11(14)8-12(13,9-11)10-6-4-2-3-5-7-10/h10,14H,2-9,13H2,1H3.
What are the key properties of 3-amino-3-cycloheptyl-1-methylcyclobutan-1-ol?
3-amino-3-cycloheptyl-1-methylcyclobutan-1-ol has a molecular weight of 197.32 g/mol, XLogP of 2.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-cycloheptyl-1-methylcyclobutan-1-ol is sourced from PubChem (CID 115021199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).