[1-(2-methylpentylamino)cyclobutyl]methanol

C11H23NO — CID 68761543

IUPAC[1-(2-methylpentylamino)cyclobutyl]methanol
SMILESCCCC(C)CNC1(CO)CCC1
InChIInChI=1S/C11H23NO/c1-3-5-10(2)8-12-11(9-13)6-4-7-11/h10,12-13H,3-9H2,1-2H3
InChIKeyIHPSHCJIBLHCJS-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.93
Rot. Bonds6

About [1-(2-methylpentylamino)cyclobutyl]methanol

[1-(2-methylpentylamino)cyclobutyl]methanol (PubChem CID 68761543) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is [1-(2-methylpentylamino)cyclobutyl]methanol.

Molecular Properties

Compound Name[1-(2-methylpentylamino)cyclobutyl]methanol
PubChem CID68761543
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name[1-(2-methylpentylamino)cyclobutyl]methanol
SMILESCCCC(C)CNC1(CO)CCC1
InChIInChI=1S/C11H23NO/c1-3-5-10(2)8-12-11(9-13)6-4-7-11/h10,12-13H,3-9H2,1-2H3
InChIKeyIHPSHCJIBLHCJS-UHFFFAOYSA-N
XLogP1.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methylpentylamino)cyclobutyl]methanol?
The IUPAC name of [1-(2-methylpentylamino)cyclobutyl]methanol (CID 68761543) is [1-(2-methylpentylamino)cyclobutyl]methanol.
What is the SMILES notation for [1-(2-methylpentylamino)cyclobutyl]methanol?
The canonical SMILES for [1-(2-methylpentylamino)cyclobutyl]methanol is CCCC(C)CNC1(CO)CCC1.
What is the InChIKey of [1-(2-methylpentylamino)cyclobutyl]methanol?
The InChIKey is IHPSHCJIBLHCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-3-5-10(2)8-12-11(9-13)6-4-7-11/h10,12-13H,3-9H2,1-2H3.
What are the key properties of [1-(2-methylpentylamino)cyclobutyl]methanol?
[1-(2-methylpentylamino)cyclobutyl]methanol has a molecular weight of 185.31 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylpentylamino)cyclobutyl]methanol is sourced from PubChem (CID 68761543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).