3-[(3-aminocyclobutyl)oxymethyl]cyclohexan-1-ol

C11H21NO2 — CID 130599462

IUPAC3-[(3-aminocyclobutyl)oxymethyl]cyclohexan-1-ol
SMILESNC1CC(OCC2CCCC(O)C2)C1
InChIInChI=1S/C11H21NO2/c12-9-5-11(6-9)14-7-8-2-1-3-10(13)4-8/h8-11,13H,1-7,12H2
InChIKeyNUCCLMIDBMPJJN-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.04
Rot. Bonds3

About 3-[(3-aminocyclobutyl)oxymethyl]cyclohexan-1-ol

3-[(3-aminocyclobutyl)oxymethyl]cyclohexan-1-ol (PubChem CID 130599462) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 3-[(3-aminocyclobutyl)oxymethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[(3-aminocyclobutyl)oxymethyl]cyclohexan-1-ol
PubChem CID130599462
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name3-[(3-aminocyclobutyl)oxymethyl]cyclohexan-1-ol
SMILESNC1CC(OCC2CCCC(O)C2)C1
InChIInChI=1S/C11H21NO2/c12-9-5-11(6-9)14-7-8-2-1-3-10(13)4-8/h8-11,13H,1-7,12H2
InChIKeyNUCCLMIDBMPJJN-UHFFFAOYSA-N
XLogP1.04
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopropylmethoxy)cyclohexan-1-ol
CID 79618368
3-(methoxymethyl)cycloheptan-1-ol
CID 79570123
(3-hydroxycyclohexyl)methyl propanoate
CID 89020573
3-(oxiran-2-ylmethoxymethyl)cyclohexan-1-ol
CID 88965353
3-(butan-2-yloxymethyl)cyclohexan-1-ol
CID 89198411
3-(cyclopropylmethoxy)cyclopentan-1-amine
CID 79458422
3-(oxiran-2-ylmethoxy)cyclohexan-1-ol
CID 118671193
3-[(1-methylsulfonylpiperidin-3-yl)methoxy]cyclobutan-1-amine
CID 79610235
trans-(1R,3R)-cyclohexane-1,3-diol
CID 6950744
cis-(1R,3S)-cyclohexane-1,3-diol
CID 6432741
3-(6-methylheptyl)cyclohexan-1-ol
CID 177308556
ethyl 2-[(1S,3R)-3-hydroxycyclohexyl]acetate;ethyl 2-[(1S,3S)-3-hydroxycyclohexyl]acetate
CID 159851625

Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminocyclobutyl)oxymethyl]cyclohexan-1-ol?
The IUPAC name of 3-[(3-aminocyclobutyl)oxymethyl]cyclohexan-1-ol (CID 130599462) is 3-[(3-aminocyclobutyl)oxymethyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[(3-aminocyclobutyl)oxymethyl]cyclohexan-1-ol?
The canonical SMILES for 3-[(3-aminocyclobutyl)oxymethyl]cyclohexan-1-ol is NC1CC(OCC2CCCC(O)C2)C1.
What is the InChIKey of 3-[(3-aminocyclobutyl)oxymethyl]cyclohexan-1-ol?
The InChIKey is NUCCLMIDBMPJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c12-9-5-11(6-9)14-7-8-2-1-3-10(13)4-8/h8-11,13H,1-7,12H2.
What are the key properties of 3-[(3-aminocyclobutyl)oxymethyl]cyclohexan-1-ol?
3-[(3-aminocyclobutyl)oxymethyl]cyclohexan-1-ol has a molecular weight of 199.29 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-aminocyclobutyl)oxymethyl]cyclohexan-1-ol is sourced from PubChem (CID 130599462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).