2-(3,3-dimethylbutan-2-ylamino)cyclohexan-1-ol

C12H25NO — CID 104828064

IUPAC2-(3,3-dimethylbutan-2-ylamino)cyclohexan-1-ol
SMILESCC(NC1CCCCC1O)C(C)(C)C
InChIInChI=1S/C12H25NO/c1-9(12(2,3)4)13-10-7-5-6-8-11(10)14/h9-11,13-14H,5-8H2,1-4H3
InChIKeyHOBWQUKBUBDVOT-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.31
Rot. Bonds2

About 2-(3,3-dimethylbutan-2-ylamino)cyclohexan-1-ol

2-(3,3-dimethylbutan-2-ylamino)cyclohexan-1-ol (PubChem CID 104828064) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-(3,3-dimethylbutan-2-ylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(3,3-dimethylbutan-2-ylamino)cyclohexan-1-ol
PubChem CID104828064
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-(3,3-dimethylbutan-2-ylamino)cyclohexan-1-ol
SMILESCC(NC1CCCCC1O)C(C)(C)C
InChIInChI=1S/C12H25NO/c1-9(12(2,3)4)13-10-7-5-6-8-11(10)14/h9-11,13-14H,5-8H2,1-4H3
InChIKeyHOBWQUKBUBDVOT-UHFFFAOYSA-N
XLogP2.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-hydroxy-3-methylbutan-2-yl)amino]cyclohexan-1-ol
CID 65337848
(2R)-2-(propan-2-ylamino)cycloheptan-1-ol
CID 166814951
trans-(1R,2R)-2-(3-methylbutan-2-ylamino)cycloheptan-1-ol
CID 130690757
trans-(1R,2R)-2-[[(2S)-3-methylbutan-2-yl]amino]cyclopentan-1-ol
CID 167275295
trans-(1S,2S)-2-(3-methylbutan-2-ylamino)cyclopentan-1-ol
CID 102733069
trans-(1R,2R)-2-[[(1S)-1-cyclopropylethyl]amino]cyclohexan-1-ol
CID 124679605
cis-(1R,2S)-2-(methylamino)cyclononan-1-ol
CID 138485260
trans-(1S,2S)-2-[[(1R)-1-cyclopentylethyl]amino]cyclopentan-1-ol
CID 102733833
2-[[(1R)-1-cycloheptylethyl]amino]cycloheptan-1-ol
CID 81392910
trans-(1R,2R)-2-[[(2S)-butan-2-yl]amino]cyclohexan-1-ol
CID 124679613
2-[[(1R)-1-cyclopentylethyl]amino]cycloheptan-1-ol
CID 81395053
2-(1,1-difluoropropan-2-ylamino)cycloheptan-1-ol
CID 102869994

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutan-2-ylamino)cyclohexan-1-ol?
The IUPAC name of 2-(3,3-dimethylbutan-2-ylamino)cyclohexan-1-ol (CID 104828064) is 2-(3,3-dimethylbutan-2-ylamino)cyclohexan-1-ol.
What is the SMILES notation for 2-(3,3-dimethylbutan-2-ylamino)cyclohexan-1-ol?
The canonical SMILES for 2-(3,3-dimethylbutan-2-ylamino)cyclohexan-1-ol is CC(NC1CCCCC1O)C(C)(C)C.
What is the InChIKey of 2-(3,3-dimethylbutan-2-ylamino)cyclohexan-1-ol?
The InChIKey is HOBWQUKBUBDVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-9(12(2,3)4)13-10-7-5-6-8-11(10)14/h9-11,13-14H,5-8H2,1-4H3.
What are the key properties of 2-(3,3-dimethylbutan-2-ylamino)cyclohexan-1-ol?
2-(3,3-dimethylbutan-2-ylamino)cyclohexan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutan-2-ylamino)cyclohexan-1-ol is sourced from PubChem (CID 104828064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).