1-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]cyclopentan-1-ol

C12H25NO2 — CID 106146862

IUPAC1-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]cyclopentan-1-ol
SMILESCC(C)(CCO)CNCC1(O)CCCC1
InChIInChI=1S/C12H25NO2/c1-11(2,7-8-14)9-13-10-12(15)5-3-4-6-12/h13-15H,3-10H2,1-2H3
InChIKeyHJMKCZXGAIASLY-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.29
Rot. Bonds6

About 1-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]cyclopentan-1-ol

1-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]cyclopentan-1-ol (PubChem CID 106146862) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]cyclopentan-1-ol
PubChem CID106146862
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name1-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]cyclopentan-1-ol
SMILESCC(C)(CCO)CNCC1(O)CCCC1
InChIInChI=1S/C12H25NO2/c1-11(2,7-8-14)9-13-10-12(15)5-3-4-6-12/h13-15H,3-10H2,1-2H3
InChIKeyHJMKCZXGAIASLY-UHFFFAOYSA-N
XLogP1.29
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-4-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 106149108
1-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]cyclopentan-1-ol
CID 65210742
1-[[(2-hydroxy-4-methoxy-2-methylbutyl)amino]methyl]cyclohexan-1-ol
CID 106254028
1-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]cyclohexan-1-ol
CID 115664275
1-[[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]methyl]cyclohexan-1-ol
CID 106246909
1-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]cyclohexan-1-ol
CID 106175972
methyl 3-[(1-hydroxycyclopentyl)methylamino]-2,2-dimethylpropanoate
CID 79623676
4,4-dimethyl-5-[(1-methylcyclopentyl)methylamino]pentanenitrile
CID 115653658
1-[(4-hydroxybutylamino)methyl]cyclopentan-1-ol
CID 65108735
4-(but-2-ynylamino)-3,3-dimethylbutan-1-ol
CID 106146857
3-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]oxolan-3-ol
CID 106099957
1-[(tert-butylamino)methyl]cyclooctan-1-ol
CID 62774336

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]cyclopentan-1-ol (CID 106146862) is 1-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]cyclopentan-1-ol is CC(C)(CCO)CNCC1(O)CCCC1.
What is the InChIKey of 1-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]cyclopentan-1-ol?
The InChIKey is HJMKCZXGAIASLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-11(2,7-8-14)9-13-10-12(15)5-3-4-6-12/h13-15H,3-10H2,1-2H3.
What are the key properties of 1-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]cyclopentan-1-ol?
1-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]cyclopentan-1-ol has a molecular weight of 215.34 g/mol, XLogP of 1.29, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 106146862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).