1-[(1-aminocyclohexyl)methoxy]-2,3-dimethylbutan-2-ol

C13H27NO2 — CID 106940012

IUPAC1-[(1-aminocyclohexyl)methoxy]-2,3-dimethylbutan-2-ol
SMILESCC(C)C(C)(O)COCC1(N)CCCCC1
InChIInChI=1S/C13H27NO2/c1-11(2)12(3,15)9-16-10-13(14)7-5-4-6-8-13/h11,15H,4-10,14H2,1-3H3
InChIKeyNCKZKDVJKWHZKQ-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.07
Rot. Bonds5

About 1-[(1-aminocyclohexyl)methoxy]-2,3-dimethylbutan-2-ol

1-[(1-aminocyclohexyl)methoxy]-2,3-dimethylbutan-2-ol (PubChem CID 106940012) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 1-[(1-aminocyclohexyl)methoxy]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-[(1-aminocyclohexyl)methoxy]-2,3-dimethylbutan-2-ol
PubChem CID106940012
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name1-[(1-aminocyclohexyl)methoxy]-2,3-dimethylbutan-2-ol
SMILESCC(C)C(C)(O)COCC1(N)CCCCC1
InChIInChI=1S/C13H27NO2/c1-11(2)12(3,15)9-16-10-13(14)7-5-4-6-8-13/h11,15H,4-10,14H2,1-3H3
InChIKeyNCKZKDVJKWHZKQ-UHFFFAOYSA-N
XLogP2.07
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-aminocyclohexyl)methoxy]-2-methylpropanamide
CID 64574200
1-(2,2-difluoroethoxymethyl)cyclohexan-1-amine
CID 64574422
1-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]cycloheptan-1-amine
CID 112590376
1-[2-[(1-aminocyclohexyl)methoxy]propan-2-yloxymethyl]cyclohexan-1-amine
CID 137411601
1-[(1-aminocycloheptyl)methoxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106991237
1-(2-propan-2-ylsulfonylethoxymethyl)cycloheptan-1-amine
CID 106726951
1-(2,2-diethoxyethoxymethyl)cyclopentan-1-amine
CID 115486754
(1-aminocycloheptyl)methyl propan-2-yl carbonate
CID 79337960
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]cyclohexan-1-amine
CID 104564416
1-[2-(dimethylamino)ethoxymethyl]cycloheptan-1-amine
CID 64549368
1-(pentan-2-yloxymethyl)cyclohexan-1-amine
CID 107891879
1-(pentoxymethyl)cyclohexan-1-amine
CID 64572474

Frequently Asked Questions

What is the IUPAC name of 1-[(1-aminocyclohexyl)methoxy]-2,3-dimethylbutan-2-ol?
The IUPAC name of 1-[(1-aminocyclohexyl)methoxy]-2,3-dimethylbutan-2-ol (CID 106940012) is 1-[(1-aminocyclohexyl)methoxy]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-[(1-aminocyclohexyl)methoxy]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1-[(1-aminocyclohexyl)methoxy]-2,3-dimethylbutan-2-ol is CC(C)C(C)(O)COCC1(N)CCCCC1.
What is the InChIKey of 1-[(1-aminocyclohexyl)methoxy]-2,3-dimethylbutan-2-ol?
The InChIKey is NCKZKDVJKWHZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-11(2)12(3,15)9-16-10-13(14)7-5-4-6-8-13/h11,15H,4-10,14H2,1-3H3.
What are the key properties of 1-[(1-aminocyclohexyl)methoxy]-2,3-dimethylbutan-2-ol?
1-[(1-aminocyclohexyl)methoxy]-2,3-dimethylbutan-2-ol has a molecular weight of 229.36 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-aminocyclohexyl)methoxy]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 106940012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).