1-[[(2,2-dimethyl-1,3-dioxan-5-yl)amino]methyl]-4-methylcyclohexan-1-ol

C14H27NO3 — CID 106658812

IUPAC1-[[(2,2-dimethyl-1,3-dioxan-5-yl)amino]methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(CNC2COC(C)(C)OC2)CC1
InChIInChI=1S/C14H27NO3/c1-11-4-6-14(16,7-5-11)10-15-12-8-17-13(2,3)18-9-12/h11-12,15-16H,4-10H2,1-3H3
InChIKeyIDSKGLAHHZZSTG-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.67
Rot. Bonds3

About 1-[[(2,2-dimethyl-1,3-dioxan-5-yl)amino]methyl]-4-methylcyclohexan-1-ol

1-[[(2,2-dimethyl-1,3-dioxan-5-yl)amino]methyl]-4-methylcyclohexan-1-ol (PubChem CID 106658812) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 1-[[(2,2-dimethyl-1,3-dioxan-5-yl)amino]methyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(2,2-dimethyl-1,3-dioxan-5-yl)amino]methyl]-4-methylcyclohexan-1-ol
PubChem CID106658812
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name1-[[(2,2-dimethyl-1,3-dioxan-5-yl)amino]methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(CNC2COC(C)(C)OC2)CC1
InChIInChI=1S/C14H27NO3/c1-11-4-6-14(16,7-5-11)10-15-12-8-17-13(2,3)18-9-12/h11-12,15-16H,4-10H2,1-3H3
InChIKeyIDSKGLAHHZZSTG-UHFFFAOYSA-N
XLogP1.67
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[(2,2-dimethyl-1,3-dioxan-5-yl)amino]methyl]-4-methylcyclohexan-1-ol with MolForge

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Related Compounds

1-[(cyclobutylamino)methyl]-4-methylcyclohexan-1-ol
CID 65115377
1-[[(2,2-dimethyloxan-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65118095
1-[(cyclopropylamino)methyl]-4-methylcycloheptan-1-ol
CID 65082633
4-methyl-1-[(thian-4-ylamino)methyl]cyclohexan-1-ol
CID 65117892
1-[[(3-ethylcyclohexyl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65115804
2,2-dimethyl-N-[(3-methyloxetan-3-yl)methyl]-1,3-dioxan-5-amine
CID 106658862
4-[[(4-methylcyclohexyl)amino]methyl]piperidin-4-ol
CID 126846027
1-(ethylaminomethyl)-4-methylcyclohexan-1-ol
CID 21302977
4-methyl-1-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]cyclohexan-1-ol
CID 107428533
4-methyl-1-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 65117458
1-[[[3-(2-chlorophenyl)cyclobutyl]amino]methyl]-4-methylcyclohexan-1-ol
CID 65117559
1-[(oxetan-3-ylamino)methyl]cyclohexan-1-ol
CID 65108688

Frequently Asked Questions

What is the IUPAC name of 1-[[(2,2-dimethyl-1,3-dioxan-5-yl)amino]methyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 1-[[(2,2-dimethyl-1,3-dioxan-5-yl)amino]methyl]-4-methylcyclohexan-1-ol (CID 106658812) is 1-[[(2,2-dimethyl-1,3-dioxan-5-yl)amino]methyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(2,2-dimethyl-1,3-dioxan-5-yl)amino]methyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-[[(2,2-dimethyl-1,3-dioxan-5-yl)amino]methyl]-4-methylcyclohexan-1-ol is CC1CCC(O)(CNC2COC(C)(C)OC2)CC1.
What is the InChIKey of 1-[[(2,2-dimethyl-1,3-dioxan-5-yl)amino]methyl]-4-methylcyclohexan-1-ol?
The InChIKey is IDSKGLAHHZZSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-11-4-6-14(16,7-5-11)10-15-12-8-17-13(2,3)18-9-12/h11-12,15-16H,4-10H2,1-3H3.
What are the key properties of 1-[[(2,2-dimethyl-1,3-dioxan-5-yl)amino]methyl]-4-methylcyclohexan-1-ol?
1-[[(2,2-dimethyl-1,3-dioxan-5-yl)amino]methyl]-4-methylcyclohexan-1-ol has a molecular weight of 257.37 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2,2-dimethyl-1,3-dioxan-5-yl)amino]methyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 106658812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).