4-cyclohexyl-3-(oxan-4-ylamino)cyclopentane-1,2-diol

C16H29NO3 — CID 78150880

IUPAC4-cyclohexyl-3-(oxan-4-ylamino)cyclopentane-1,2-diol
SMILESOC1CC(C2CCCCC2)C(NC2CCOCC2)C1O
InChIInChI=1S/C16H29NO3/c18-14-10-13(11-4-2-1-3-5-11)15(16(14)19)17-12-6-8-20-9-7-12/h11-19H,1-10H2
InChIKeyABAPZVVYWLHUCX-UHFFFAOYSA-N
MW283.41 g/mol
LogP1.45
Rot. Bonds3

About 4-cyclohexyl-3-(oxan-4-ylamino)cyclopentane-1,2-diol

4-cyclohexyl-3-(oxan-4-ylamino)cyclopentane-1,2-diol (PubChem CID 78150880) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 4-cyclohexyl-3-(oxan-4-ylamino)cyclopentane-1,2-diol.

Molecular Properties

Compound Name4-cyclohexyl-3-(oxan-4-ylamino)cyclopentane-1,2-diol
PubChem CID78150880
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name4-cyclohexyl-3-(oxan-4-ylamino)cyclopentane-1,2-diol
SMILESOC1CC(C2CCCCC2)C(NC2CCOCC2)C1O
InChIInChI=1S/C16H29NO3/c18-14-10-13(11-4-2-1-3-5-11)15(16(14)19)17-12-6-8-20-9-7-12/h11-19H,1-10H2
InChIKeyABAPZVVYWLHUCX-UHFFFAOYSA-N
XLogP1.45
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-3-(oxan-4-ylamino)cyclopentane-1,2-diol?
The IUPAC name of 4-cyclohexyl-3-(oxan-4-ylamino)cyclopentane-1,2-diol (CID 78150880) is 4-cyclohexyl-3-(oxan-4-ylamino)cyclopentane-1,2-diol.
What is the SMILES notation for 4-cyclohexyl-3-(oxan-4-ylamino)cyclopentane-1,2-diol?
The canonical SMILES for 4-cyclohexyl-3-(oxan-4-ylamino)cyclopentane-1,2-diol is OC1CC(C2CCCCC2)C(NC2CCOCC2)C1O.
What is the InChIKey of 4-cyclohexyl-3-(oxan-4-ylamino)cyclopentane-1,2-diol?
The InChIKey is ABAPZVVYWLHUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c18-14-10-13(11-4-2-1-3-5-11)15(16(14)19)17-12-6-8-20-9-7-12/h11-19H,1-10H2.
What are the key properties of 4-cyclohexyl-3-(oxan-4-ylamino)cyclopentane-1,2-diol?
4-cyclohexyl-3-(oxan-4-ylamino)cyclopentane-1,2-diol has a molecular weight of 283.41 g/mol, XLogP of 1.45, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-3-(oxan-4-ylamino)cyclopentane-1,2-diol is sourced from PubChem (CID 78150880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).