2-(3,3-dimethylbutylamino)cyclohexan-1-ol

C12H25NO — CID 62359482

IUPAC2-(3,3-dimethylbutylamino)cyclohexan-1-ol
SMILESCC(C)(C)CCNC1CCCCC1O
InChIInChI=1S/C12H25NO/c1-12(2,3)8-9-13-10-6-4-5-7-11(10)14/h10-11,13-14H,4-9H2,1-3H3
InChIKeyGVGVWTOZKQOGLI-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.32
Rot. Bonds3

About 2-(3,3-dimethylbutylamino)cyclohexan-1-ol

2-(3,3-dimethylbutylamino)cyclohexan-1-ol (PubChem CID 62359482) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-(3,3-dimethylbutylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(3,3-dimethylbutylamino)cyclohexan-1-ol
PubChem CID62359482
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-(3,3-dimethylbutylamino)cyclohexan-1-ol
SMILESCC(C)(C)CCNC1CCCCC1O
InChIInChI=1S/C12H25NO/c1-12(2,3)8-9-13-10-6-4-5-7-11(10)14/h10-11,13-14H,4-9H2,1-3H3
InChIKeyGVGVWTOZKQOGLI-UHFFFAOYSA-N
XLogP2.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]ethylamino]cyclohexan-1-ol
CID 92759264
trans-(1R,2R)-2-(3,3,3-trifluoropropylamino)cyclopentan-1-ol
CID 102733446
2-(2,2-dimethylpropylamino)cyclopentan-1-ol
CID 61166650
trans-(1R,2R)-2-(3-cyclopropylpropylamino)cyclohexan-1-ol
CID 102731748
trans-(1R,2R)-2-(pentylamino)cyclohexan-1-ol
CID 102730848
2-[(1S,2S)-2-(3,3-dimethylbutylamino)cyclopentyl]ethanol
CID 99826080
trans-(1R,2R)-2-(5,5,5-trifluoropentylamino)cyclohexan-1-ol
CID 102731534
trans-(1S,2S)-2-(ethylamino)cyclohexan-1-ol
CID 28660461
cis-(1R,2S)-2-(ethylamino)cyclohexan-1-ol
CID 28660465
trans-(1S,2S)-2-(2-cyclobutylethylamino)cyclopentan-1-ol
CID 102734088
trans-(1R,2R)-2-(2-cyclopropylethylamino)cyclopentan-1-ol
CID 102733634
2-(nonylamino)cyclohexan-1-ol
CID 62360571

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutylamino)cyclohexan-1-ol?
The IUPAC name of 2-(3,3-dimethylbutylamino)cyclohexan-1-ol (CID 62359482) is 2-(3,3-dimethylbutylamino)cyclohexan-1-ol.
What is the SMILES notation for 2-(3,3-dimethylbutylamino)cyclohexan-1-ol?
The canonical SMILES for 2-(3,3-dimethylbutylamino)cyclohexan-1-ol is CC(C)(C)CCNC1CCCCC1O.
What is the InChIKey of 2-(3,3-dimethylbutylamino)cyclohexan-1-ol?
The InChIKey is GVGVWTOZKQOGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-12(2,3)8-9-13-10-6-4-5-7-11(10)14/h10-11,13-14H,4-9H2,1-3H3.
What are the key properties of 2-(3,3-dimethylbutylamino)cyclohexan-1-ol?
2-(3,3-dimethylbutylamino)cyclohexan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutylamino)cyclohexan-1-ol is sourced from PubChem (CID 62359482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).