4-[[(1-hydroxycyclohexyl)methyl-methylamino]methyl]oxan-4-ol

C14H27NO3 — CID 114951907

IUPAC4-[[(1-hydroxycyclohexyl)methyl-methylamino]methyl]oxan-4-ol
SMILESCN(CC1(O)CCCCC1)CC1(O)CCOCC1
InChIInChI=1S/C14H27NO3/c1-15(11-13(16)5-3-2-4-6-13)12-14(17)7-9-18-10-8-14/h16-17H,2-12H2,1H3
InChIKeyXNWDTAAGARLHJV-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.15
Rot. Bonds4

About 4-[[(1-hydroxycyclohexyl)methyl-methylamino]methyl]oxan-4-ol

4-[[(1-hydroxycyclohexyl)methyl-methylamino]methyl]oxan-4-ol (PubChem CID 114951907) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 4-[[(1-hydroxycyclohexyl)methyl-methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(1-hydroxycyclohexyl)methyl-methylamino]methyl]oxan-4-ol
PubChem CID114951907
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name4-[[(1-hydroxycyclohexyl)methyl-methylamino]methyl]oxan-4-ol
SMILESCN(CC1(O)CCCCC1)CC1(O)CCOCC1
InChIInChI=1S/C14H27NO3/c1-15(11-13(16)5-3-2-4-6-13)12-14(17)7-9-18-10-8-14/h16-17H,2-12H2,1H3
InChIKeyXNWDTAAGARLHJV-UHFFFAOYSA-N
XLogP1.15
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[ethyl(methyl)amino]methyl]oxan-4-ol
CID 115749552
1-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]cyclopentane-1-carbaldehyde
CID 114953386
4-[[[1-(bromomethyl)cyclopropyl]methyl-methylamino]methyl]oxan-4-ol
CID 114952439
4-[[[4-(aminomethyl)oxan-4-yl]methyl-methylamino]methyl]oxan-4-ol
CID 114953654
4-[[methyl(2-methylpropyl)amino]methyl]oxan-4-ol
CID 115749283
4-[[methyl-[[1-(propylaminomethyl)cyclopentyl]methyl]amino]methyl]oxan-4-ol
CID 114953652
4-[[methyl(2-methylsulfanylethyl)amino]methyl]oxan-4-ol
CID 115750815
1-[(dimethylamino)methyl]cycloheptan-1-ol
CID 104550048
4-[[2,2-dimethoxyethyl(methyl)amino]methyl]oxan-4-ol
CID 114950482
4-[[5-hydroxypentyl(methyl)amino]methyl]oxan-4-ol
CID 114951905
4-[[4-bromobutyl(methyl)amino]methyl]oxan-4-ol
CID 114952449
4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxan-4-ol
CID 115746978

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-hydroxycyclohexyl)methyl-methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(1-hydroxycyclohexyl)methyl-methylamino]methyl]oxan-4-ol (CID 114951907) is 4-[[(1-hydroxycyclohexyl)methyl-methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(1-hydroxycyclohexyl)methyl-methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(1-hydroxycyclohexyl)methyl-methylamino]methyl]oxan-4-ol is CN(CC1(O)CCCCC1)CC1(O)CCOCC1.
What is the InChIKey of 4-[[(1-hydroxycyclohexyl)methyl-methylamino]methyl]oxan-4-ol?
The InChIKey is XNWDTAAGARLHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-15(11-13(16)5-3-2-4-6-13)12-14(17)7-9-18-10-8-14/h16-17H,2-12H2,1H3.
What are the key properties of 4-[[(1-hydroxycyclohexyl)methyl-methylamino]methyl]oxan-4-ol?
4-[[(1-hydroxycyclohexyl)methyl-methylamino]methyl]oxan-4-ol has a molecular weight of 257.37 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-hydroxycyclohexyl)methyl-methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 114951907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).