5-amino-2-cyclobutylpentan-2-ol

C9H19NO — CID 130580664

IUPAC5-amino-2-cyclobutylpentan-2-ol
SMILESCC(O)(CCCN)C1CCC1
InChIInChI=1S/C9H19NO/c1-9(11,6-3-7-10)8-4-2-5-8/h8,11H,2-7,10H2,1H3
InChIKeyHLNJKYUJZYUCEL-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.28
Rot. Bonds4

About 5-amino-2-cyclobutylpentan-2-ol

5-amino-2-cyclobutylpentan-2-ol (PubChem CID 130580664) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 5-amino-2-cyclobutylpentan-2-ol.

Molecular Properties

Compound Name5-amino-2-cyclobutylpentan-2-ol
PubChem CID130580664
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name5-amino-2-cyclobutylpentan-2-ol
SMILESCC(O)(CCCN)C1CCC1
InChIInChI=1S/C9H19NO/c1-9(11,6-3-7-10)8-4-2-5-8/h8,11H,2-7,10H2,1H3
InChIKeyHLNJKYUJZYUCEL-UHFFFAOYSA-N
XLogP1.28
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-cyclobutylpentan-2-ol?
The IUPAC name of 5-amino-2-cyclobutylpentan-2-ol (CID 130580664) is 5-amino-2-cyclobutylpentan-2-ol.
What is the SMILES notation for 5-amino-2-cyclobutylpentan-2-ol?
The canonical SMILES for 5-amino-2-cyclobutylpentan-2-ol is CC(O)(CCCN)C1CCC1.
What is the InChIKey of 5-amino-2-cyclobutylpentan-2-ol?
The InChIKey is HLNJKYUJZYUCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-9(11,6-3-7-10)8-4-2-5-8/h8,11H,2-7,10H2,1H3.
What are the key properties of 5-amino-2-cyclobutylpentan-2-ol?
5-amino-2-cyclobutylpentan-2-ol has a molecular weight of 157.26 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-cyclobutylpentan-2-ol is sourced from PubChem (CID 130580664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).