5-(3-tert-butylazetidin-1-yl)pentan-1-ol

C12H25NO — CID 107319643

IUPAC5-(3-tert-butylazetidin-1-yl)pentan-1-ol
SMILESCC(C)(C)C1CN(CCCCCO)C1
InChIInChI=1S/C12H25NO/c1-12(2,3)11-9-13(10-11)7-5-4-6-8-14/h11,14H,4-10H2,1-3H3
InChIKeyHXTKLTWADDNYJY-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.13
Rot. Bonds5

About 5-(3-tert-butylazetidin-1-yl)pentan-1-ol

5-(3-tert-butylazetidin-1-yl)pentan-1-ol (PubChem CID 107319643) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 5-(3-tert-butylazetidin-1-yl)pentan-1-ol.

Molecular Properties

Compound Name5-(3-tert-butylazetidin-1-yl)pentan-1-ol
PubChem CID107319643
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name5-(3-tert-butylazetidin-1-yl)pentan-1-ol
SMILESCC(C)(C)C1CN(CCCCCO)C1
InChIInChI=1S/C12H25NO/c1-12(2,3)11-9-13(10-11)7-5-4-6-8-14/h11,14H,4-10H2,1-3H3
InChIKeyHXTKLTWADDNYJY-UHFFFAOYSA-N
XLogP2.13
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-tert-butylazetidin-1-yl)pentan-1-ol?
The IUPAC name of 5-(3-tert-butylazetidin-1-yl)pentan-1-ol (CID 107319643) is 5-(3-tert-butylazetidin-1-yl)pentan-1-ol.
What is the SMILES notation for 5-(3-tert-butylazetidin-1-yl)pentan-1-ol?
The canonical SMILES for 5-(3-tert-butylazetidin-1-yl)pentan-1-ol is CC(C)(C)C1CN(CCCCCO)C1.
What is the InChIKey of 5-(3-tert-butylazetidin-1-yl)pentan-1-ol?
The InChIKey is HXTKLTWADDNYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-12(2,3)11-9-13(10-11)7-5-4-6-8-14/h11,14H,4-10H2,1-3H3.
What are the key properties of 5-(3-tert-butylazetidin-1-yl)pentan-1-ol?
5-(3-tert-butylazetidin-1-yl)pentan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-tert-butylazetidin-1-yl)pentan-1-ol is sourced from PubChem (CID 107319643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).