1-(azocan-1-yl)-2,3-dimethylbutan-2-ol

C13H27NO — CID 114447496

IUPAC1-(azocan-1-yl)-2,3-dimethylbutan-2-ol
SMILESCC(C)C(C)(O)CN1CCCCCCC1
InChIInChI=1S/C13H27NO/c1-12(2)13(3,15)11-14-9-7-5-4-6-8-10-14/h12,15H,4-11H2,1-3H3
InChIKeyHTABYEAGTASRPC-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.66
Rot. Bonds3

About 1-(azocan-1-yl)-2,3-dimethylbutan-2-ol

1-(azocan-1-yl)-2,3-dimethylbutan-2-ol (PubChem CID 114447496) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1-(azocan-1-yl)-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-(azocan-1-yl)-2,3-dimethylbutan-2-ol
PubChem CID114447496
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1-(azocan-1-yl)-2,3-dimethylbutan-2-ol
SMILESCC(C)C(C)(O)CN1CCCCCCC1
InChIInChI=1S/C13H27NO/c1-12(2)13(3,15)11-14-9-7-5-4-6-8-10-14/h12,15H,4-11H2,1-3H3
InChIKeyHTABYEAGTASRPC-UHFFFAOYSA-N
XLogP2.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylpiperazin-1-yl)-2,3-dimethylbutan-2-ol
CID 114447436
1-(4,4-dimethylazepan-1-yl)-2,3-dimethylbutan-2-ol
CID 114449017
1-(2-hydroxy-2,3-dimethylbutyl)piperidin-4-ol
CID 114448862
1-(2,2,3-trimethylbutyl)piperidine
CID 123629740
1-(2-hydroxy-2,3-dimethylbutyl)piperidine-3-carboxamide
CID 114447589
1-(3-ethylpiperidin-1-yl)-2,3-dimethylbutan-2-ol
CID 114447622
1-[3-(dimethylamino)piperidin-1-yl]-2,3-dimethylbutan-2-ol
CID 114448938
2,3-dimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]butan-2-ol
CID 114496429
1-[4-(ethylamino)piperidin-1-yl]-2,3-dimethylbutan-2-ol
CID 114491211
1-(2-hydroxy-2,3-dimethylbutyl)pyrrolidin-3-ol
CID 114449091
1-(2,2-dimethylpropyl)azocane
CID 131007399
1-[4-[(tert-butylamino)methyl]piperidin-1-yl]-2,3-dimethylbutan-2-ol
CID 114496950

Frequently Asked Questions

What is the IUPAC name of 1-(azocan-1-yl)-2,3-dimethylbutan-2-ol?
The IUPAC name of 1-(azocan-1-yl)-2,3-dimethylbutan-2-ol (CID 114447496) is 1-(azocan-1-yl)-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-(azocan-1-yl)-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1-(azocan-1-yl)-2,3-dimethylbutan-2-ol is CC(C)C(C)(O)CN1CCCCCCC1.
What is the InChIKey of 1-(azocan-1-yl)-2,3-dimethylbutan-2-ol?
The InChIKey is HTABYEAGTASRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-12(2)13(3,15)11-14-9-7-5-4-6-8-10-14/h12,15H,4-11H2,1-3H3.
What are the key properties of 1-(azocan-1-yl)-2,3-dimethylbutan-2-ol?
1-(azocan-1-yl)-2,3-dimethylbutan-2-ol has a molecular weight of 213.36 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azocan-1-yl)-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 114447496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).