3-[3,3-dimethylbutan-2-yl(methyl)amino]cyclohexan-1-ol

C13H27NO — CID 79619422

IUPAC3-[3,3-dimethylbutan-2-yl(methyl)amino]cyclohexan-1-ol
SMILESCC(N(C)C1CCCC(O)C1)C(C)(C)C
InChIInChI=1S/C13H27NO/c1-10(13(2,3)4)14(5)11-7-6-8-12(15)9-11/h10-12,15H,6-9H2,1-5H3
InChIKeyFKVRVTIODFDOCS-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.66
Rot. Bonds2

About 3-[3,3-dimethylbutan-2-yl(methyl)amino]cyclohexan-1-ol

3-[3,3-dimethylbutan-2-yl(methyl)amino]cyclohexan-1-ol (PubChem CID 79619422) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 3-[3,3-dimethylbutan-2-yl(methyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[3,3-dimethylbutan-2-yl(methyl)amino]cyclohexan-1-ol
PubChem CID79619422
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name3-[3,3-dimethylbutan-2-yl(methyl)amino]cyclohexan-1-ol
SMILESCC(N(C)C1CCCC(O)C1)C(C)(C)C
InChIInChI=1S/C13H27NO/c1-10(13(2,3)4)14(5)11-7-6-8-12(15)9-11/h10-12,15H,6-9H2,1-5H3
InChIKeyFKVRVTIODFDOCS-UHFFFAOYSA-N
XLogP2.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 3-[3,3-dimethylbutan-2-yl(methyl)amino]cyclohexan-1-ol?
The IUPAC name of 3-[3,3-dimethylbutan-2-yl(methyl)amino]cyclohexan-1-ol (CID 79619422) is 3-[3,3-dimethylbutan-2-yl(methyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 3-[3,3-dimethylbutan-2-yl(methyl)amino]cyclohexan-1-ol?
The canonical SMILES for 3-[3,3-dimethylbutan-2-yl(methyl)amino]cyclohexan-1-ol is CC(N(C)C1CCCC(O)C1)C(C)(C)C.
What is the InChIKey of 3-[3,3-dimethylbutan-2-yl(methyl)amino]cyclohexan-1-ol?
The InChIKey is FKVRVTIODFDOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-10(13(2,3)4)14(5)11-7-6-8-12(15)9-11/h10-12,15H,6-9H2,1-5H3.
What are the key properties of 3-[3,3-dimethylbutan-2-yl(methyl)amino]cyclohexan-1-ol?
3-[3,3-dimethylbutan-2-yl(methyl)amino]cyclohexan-1-ol has a molecular weight of 213.36 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,3-dimethylbutan-2-yl(methyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 79619422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).