1-tert-butylazocan-5-ol

C11H23NO — CID 137410769

IUPAC1-tert-butylazocan-5-ol
SMILESCC(C)(C)N1CCCC(O)CCC1
InChIInChI=1S/C11H23NO/c1-11(2,3)12-8-4-6-10(13)7-5-9-12/h10,13H,4-9H2,1-3H3
InChIKeyVSDVFFZVSXTDMT-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.02
Rot. Bonds

About 1-tert-butylazocan-5-ol

1-tert-butylazocan-5-ol (PubChem CID 137410769) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-tert-butylazocan-5-ol.

Molecular Properties

Compound Name1-tert-butylazocan-5-ol
PubChem CID137410769
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name1-tert-butylazocan-5-ol
SMILESCC(C)(C)N1CCCC(O)CCC1
InChIInChI=1S/C11H23NO/c1-11(2,3)12-8-4-6-10(13)7-5-9-12/h10,13H,4-9H2,1-3H3
InChIKeyVSDVFFZVSXTDMT-UHFFFAOYSA-N
XLogP2.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 90712737
1-tert-butylazepane;1-tert-butylpiperidine
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1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane
CID 160950375
cyclopentanol;2-methylpropan-2-ol
CID 175069289
(3S)-1-(2-methylpentan-2-yl)piperidin-3-ol
CID 130272331
(4S)-1-methylazepan-4-ol
CID 29414429
1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)azepan-4-ol
CID 131923534
1,3-ditert-butylpiperidine;methane
CID 157116364
(4S)-1-methylazepan-4-ol;hydrochloride
CID 175654046
1-tert-butylpiperidine-3-carboxamide
CID 59656300
(3R,4S)-1-tert-butyl-4-methylpiperidin-3-ol;ethane
CID 161248171

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylazocan-5-ol?
The IUPAC name of 1-tert-butylazocan-5-ol (CID 137410769) is 1-tert-butylazocan-5-ol.
What is the SMILES notation for 1-tert-butylazocan-5-ol?
The canonical SMILES for 1-tert-butylazocan-5-ol is CC(C)(C)N1CCCC(O)CCC1.
What is the InChIKey of 1-tert-butylazocan-5-ol?
The InChIKey is VSDVFFZVSXTDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-11(2,3)12-8-4-6-10(13)7-5-9-12/h10,13H,4-9H2,1-3H3.
What are the key properties of 1-tert-butylazocan-5-ol?
1-tert-butylazocan-5-ol has a molecular weight of 185.31 g/mol, XLogP of 2.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylazocan-5-ol is sourced from PubChem (CID 137410769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).