[1-amino-3-(oxan-4-ylmethoxy)cyclohexyl]methanol

C13H25NO3 — CID 79640485

IUPAC[1-amino-3-(oxan-4-ylmethoxy)cyclohexyl]methanol
SMILESNC1(CO)CCCC(OCC2CCOCC2)C1
InChIInChI=1S/C13H25NO3/c14-13(10-15)5-1-2-12(8-13)17-9-11-3-6-16-7-4-11/h11-12,15H,1-10,14H2
InChIKeyOAOKALCFHVCBOR-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.06
Rot. Bonds4

About [1-amino-3-(oxan-4-ylmethoxy)cyclohexyl]methanol

[1-amino-3-(oxan-4-ylmethoxy)cyclohexyl]methanol (PubChem CID 79640485) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is [1-amino-3-(oxan-4-ylmethoxy)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-amino-3-(oxan-4-ylmethoxy)cyclohexyl]methanol
PubChem CID79640485
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name[1-amino-3-(oxan-4-ylmethoxy)cyclohexyl]methanol
SMILESNC1(CO)CCCC(OCC2CCOCC2)C1
InChIInChI=1S/C13H25NO3/c14-13(10-15)5-1-2-12(8-13)17-9-11-3-6-16-7-4-11/h11-12,15H,1-10,14H2
InChIKeyOAOKALCFHVCBOR-UHFFFAOYSA-N
XLogP1.06
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(cyclopropylamino)-3-(oxolan-3-ylmethoxy)cyclohexyl]methanol
CID 79640652
1-amino-3-(cyclopropylmethoxy)cyclohexane-1-carboxylic acid
CID 79638302
[1-amino-3-(2-propan-2-yloxyethoxy)cyclohexyl]methanol
CID 79640661
[1-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclohexyl]methanol
CID 104567715
[1-amino-3-[methyl(oxan-4-ylmethyl)amino]cyclohexyl]methanol
CID 79635025
[3-(oxolan-3-ylmethoxy)-1-(propylamino)cyclohexyl]methanol
CID 79640489
[1-amino-3-(2-methylbutan-2-yloxy)cyclohexyl]methanol
CID 79640493
1-(oxan-4-ylmethyl)cyclobutan-1-amine
CID 65196383
3-(oxan-4-ylmethoxy)cyclopentan-1-amine
CID 79458329
oxan-4-ylmethyl 1-amino-3-methylcyclohexane-1-carboxylate
CID 62383279
[1-amino-3-(2,2-difluoroethoxy)cyclopentyl]methanol
CID 82009909
[1-amino-3-[4-(methoxymethyl)piperidin-1-yl]cyclohexyl]methanol
CID 79634523

Frequently Asked Questions

What is the IUPAC name of [1-amino-3-(oxan-4-ylmethoxy)cyclohexyl]methanol?
The IUPAC name of [1-amino-3-(oxan-4-ylmethoxy)cyclohexyl]methanol (CID 79640485) is [1-amino-3-(oxan-4-ylmethoxy)cyclohexyl]methanol.
What is the SMILES notation for [1-amino-3-(oxan-4-ylmethoxy)cyclohexyl]methanol?
The canonical SMILES for [1-amino-3-(oxan-4-ylmethoxy)cyclohexyl]methanol is NC1(CO)CCCC(OCC2CCOCC2)C1.
What is the InChIKey of [1-amino-3-(oxan-4-ylmethoxy)cyclohexyl]methanol?
The InChIKey is OAOKALCFHVCBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c14-13(10-15)5-1-2-12(8-13)17-9-11-3-6-16-7-4-11/h11-12,15H,1-10,14H2.
What are the key properties of [1-amino-3-(oxan-4-ylmethoxy)cyclohexyl]methanol?
[1-amino-3-(oxan-4-ylmethoxy)cyclohexyl]methanol has a molecular weight of 243.35 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-3-(oxan-4-ylmethoxy)cyclohexyl]methanol is sourced from PubChem (CID 79640485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).