4-(4,4-dimethylazepan-1-yl)-2-methylbutan-2-ol

C13H27NO — CID 79361847

IUPAC4-(4,4-dimethylazepan-1-yl)-2-methylbutan-2-ol
SMILESCC(C)(O)CCN1CCCC(C)(C)CC1
InChIInChI=1S/C13H27NO/c1-12(2)6-5-9-14(10-7-12)11-8-13(3,4)15/h15H,5-11H2,1-4H3
InChIKeyODDXYFHJMXBUJS-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.66
Rot. Bonds3

About 4-(4,4-dimethylazepan-1-yl)-2-methylbutan-2-ol

4-(4,4-dimethylazepan-1-yl)-2-methylbutan-2-ol (PubChem CID 79361847) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 4-(4,4-dimethylazepan-1-yl)-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(4,4-dimethylazepan-1-yl)-2-methylbutan-2-ol
PubChem CID79361847
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name4-(4,4-dimethylazepan-1-yl)-2-methylbutan-2-ol
SMILESCC(C)(O)CCN1CCCC(C)(C)CC1
InChIInChI=1S/C13H27NO/c1-12(2)6-5-9-14(10-7-12)11-8-13(3,4)15/h15H,5-11H2,1-4H3
InChIKeyODDXYFHJMXBUJS-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

4-(4,4-dimethylazepan-1-yl)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77064513
4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)butan-1-ol
CID 65286303
4-(5-azaspiro[2.5]octan-5-yl)-2-methylbutan-2-ol
CID 127900251
4-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylbutanoic acid
CID 65282286
4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propylamino)butan-1-ol
CID 65286693
2-amino-4-(4,4-dimethylpiperidin-1-yl)-2-methylbutan-1-ol
CID 64791445
4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propan-2-ylamino)butanamide
CID 65281752
1-(4,4-dimethylazepan-1-yl)-2,3-dimethylbutan-2-ol
CID 114449017
4-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-methylbutan-2-ol
CID 107271922
4,4-dimethyl-1-pentylazepane
CID 18723213
4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propylamino)butanoic acid
CID 65282090
5-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 65286449

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethylazepan-1-yl)-2-methylbutan-2-ol?
The IUPAC name of 4-(4,4-dimethylazepan-1-yl)-2-methylbutan-2-ol (CID 79361847) is 4-(4,4-dimethylazepan-1-yl)-2-methylbutan-2-ol.
What is the SMILES notation for 4-(4,4-dimethylazepan-1-yl)-2-methylbutan-2-ol?
The canonical SMILES for 4-(4,4-dimethylazepan-1-yl)-2-methylbutan-2-ol is CC(C)(O)CCN1CCCC(C)(C)CC1.
What is the InChIKey of 4-(4,4-dimethylazepan-1-yl)-2-methylbutan-2-ol?
The InChIKey is ODDXYFHJMXBUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-12(2)6-5-9-14(10-7-12)11-8-13(3,4)15/h15H,5-11H2,1-4H3.
What are the key properties of 4-(4,4-dimethylazepan-1-yl)-2-methylbutan-2-ol?
4-(4,4-dimethylazepan-1-yl)-2-methylbutan-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 4-(4,4-dimethylazepan-1-yl)-2-methylbutan-2-ol is sourced from PubChem (CID 79361847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).