[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]cyclohexyl]methanol

C13H25NO3 — CID 106359859

IUPAC[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]cyclohexyl]methanol
SMILESCC1(C)OCC(NC2CCCCC2CO)CO1
InChIInChI=1S/C13H25NO3/c1-13(2)16-8-11(9-17-13)14-12-6-4-3-5-10(12)7-15/h10-12,14-15H,3-9H2,1-2H3
InChIKeyXMWKHVVCLNKHEG-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.28
Rot. Bonds3

About [2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]cyclohexyl]methanol

[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]cyclohexyl]methanol (PubChem CID 106359859) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is [2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]cyclohexyl]methanol
PubChem CID106359859
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]cyclohexyl]methanol
SMILESCC1(C)OCC(NC2CCCCC2CO)CO1
InChIInChI=1S/C13H25NO3/c1-13(2)16-8-11(9-17-13)14-12-6-4-3-5-10(12)7-15/h10-12,14-15H,3-9H2,1-2H3
InChIKeyXMWKHVVCLNKHEG-UHFFFAOYSA-N
XLogP1.28
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]cyclohexyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(2,2-dimethyloxan-4-yl)amino]cyclohexyl]methanol
CID 106359775
[2-[(2-ethyl-2-methyloxan-4-yl)amino]cyclohexyl]methanol
CID 106359606
[2-(cyclopropylamino)cyclopentyl]methanol
CID 83863384
[2-[(3-methylcyclobutyl)amino]cyclohexyl]methanol
CID 104859822
N-cyclooctyl-2,2-dimethyl-1,3-dioxan-5-amine
CID 113429645
[2-[(2-ethyl-2-methyloxan-4-yl)amino]cyclopentyl]methanol
CID 114178470
[2-[(3-methylcyclobutyl)amino]cyclopentyl]methanol
CID 104859835
[2-[(3-methoxycyclobutyl)amino]cyclohexyl]methanol
CID 104871558
[2-(thiolan-3-ylamino)cyclohexyl]methanol
CID 103784945
[2-[(2-propan-2-yloxan-4-yl)amino]cyclohexyl]methanol
CID 103930700
[2-[(3-aminocyclobutyl)amino]cyclopentyl]methanol
CID 106359486
[2-[(4-tert-butylcyclohexyl)amino]cyclopentyl]methanol
CID 103700508

Frequently Asked Questions

What is the IUPAC name of [2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]cyclohexyl]methanol?
The IUPAC name of [2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]cyclohexyl]methanol (CID 106359859) is [2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]cyclohexyl]methanol.
What is the SMILES notation for [2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]cyclohexyl]methanol?
The canonical SMILES for [2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]cyclohexyl]methanol is CC1(C)OCC(NC2CCCCC2CO)CO1.
What is the InChIKey of [2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]cyclohexyl]methanol?
The InChIKey is XMWKHVVCLNKHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-13(2)16-8-11(9-17-13)14-12-6-4-3-5-10(12)7-15/h10-12,14-15H,3-9H2,1-2H3.
What are the key properties of [2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]cyclohexyl]methanol?
[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]cyclohexyl]methanol has a molecular weight of 243.35 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]cyclohexyl]methanol is sourced from PubChem (CID 106359859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).