4-[[(3,4-dimethylcyclohexyl)-methylamino]methyl]oxan-4-ol

C15H29NO2 — CID 114952965

IUPAC4-[[(3,4-dimethylcyclohexyl)-methylamino]methyl]oxan-4-ol
SMILESCC1CCC(N(C)CC2(O)CCOCC2)CC1C
InChIInChI=1S/C15H29NO2/c1-12-4-5-14(10-13(12)2)16(3)11-15(17)6-8-18-9-7-15/h12-14,17H,4-11H2,1-3H3
InChIKeyJQFBZCOMSVQCDV-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.28
Rot. Bonds3

About 4-[[(3,4-dimethylcyclohexyl)-methylamino]methyl]oxan-4-ol

4-[[(3,4-dimethylcyclohexyl)-methylamino]methyl]oxan-4-ol (PubChem CID 114952965) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 4-[[(3,4-dimethylcyclohexyl)-methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(3,4-dimethylcyclohexyl)-methylamino]methyl]oxan-4-ol
PubChem CID114952965
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name4-[[(3,4-dimethylcyclohexyl)-methylamino]methyl]oxan-4-ol
SMILESCC1CCC(N(C)CC2(O)CCOCC2)CC1C
InChIInChI=1S/C15H29NO2/c1-12-4-5-14(10-13(12)2)16(3)11-15(17)6-8-18-9-7-15/h12-14,17H,4-11H2,1-3H3
InChIKeyJQFBZCOMSVQCDV-UHFFFAOYSA-N
XLogP2.28
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[methyl(oxan-3-yl)amino]methyl]oxan-4-ol
CID 104985620
4-[[[4-(ethylamino)cyclohexyl]-methylamino]methyl]oxan-4-ol
CID 114954279
4-[[methyl(6-oxaspiro[4.5]decan-9-yl)amino]methyl]oxan-4-ol
CID 114952717
4-[[(3,4-dimethylcyclohexyl)amino]methyl]oxan-4-ol
CID 81130499
1-[[methyl(oxetan-3-yl)amino]methyl]cyclopentan-1-ol
CID 131153818
4-[[ethyl(methyl)amino]methyl]oxan-4-ol
CID 115749552
4-[[methyl-(3-methylcyclohexyl)amino]methyl]oxan-4-amine
CID 115295410
1-[[(3-aminocyclohexyl)-methylamino]methyl]cyclopentan-1-ol
CID 114953874
4-[[cyclopropyl(methyl)amino]methyl]oxane-4-carboxylic acid
CID 62390479
4-[[(1-hydroxycyclohexyl)methyl-methylamino]methyl]oxan-4-ol
CID 114951907
1-[[(4-aminocyclohexyl)-methylamino]methyl]cyclopropan-1-ol
CID 172599097
3-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyrrolidine-2,5-dione
CID 114952741

Frequently Asked Questions

What is the IUPAC name of 4-[[(3,4-dimethylcyclohexyl)-methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(3,4-dimethylcyclohexyl)-methylamino]methyl]oxan-4-ol (CID 114952965) is 4-[[(3,4-dimethylcyclohexyl)-methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(3,4-dimethylcyclohexyl)-methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(3,4-dimethylcyclohexyl)-methylamino]methyl]oxan-4-ol is CC1CCC(N(C)CC2(O)CCOCC2)CC1C.
What is the InChIKey of 4-[[(3,4-dimethylcyclohexyl)-methylamino]methyl]oxan-4-ol?
The InChIKey is JQFBZCOMSVQCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-12-4-5-14(10-13(12)2)16(3)11-15(17)6-8-18-9-7-15/h12-14,17H,4-11H2,1-3H3.
What are the key properties of 4-[[(3,4-dimethylcyclohexyl)-methylamino]methyl]oxan-4-ol?
4-[[(3,4-dimethylcyclohexyl)-methylamino]methyl]oxan-4-ol has a molecular weight of 255.40 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3,4-dimethylcyclohexyl)-methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 114952965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).