2-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]cyclohexan-1-ol

C15H29NO2 — CID 81418645

IUPAC2-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]cyclohexan-1-ol
SMILESOCC1(CNCC2CCCCC2O)CCCCC1
InChIInChI=1S/C15H29NO2/c17-12-15(8-4-1-5-9-15)11-16-10-13-6-2-3-7-14(13)18/h13-14,16-18H,1-12H2
InChIKeyZJXCMIQHKNMMSZ-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.07
Rot. Bonds5

About 2-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]cyclohexan-1-ol

2-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]cyclohexan-1-ol (PubChem CID 81418645) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]cyclohexan-1-ol
PubChem CID81418645
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name2-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]cyclohexan-1-ol
SMILESOCC1(CNCC2CCCCC2O)CCCCC1
InChIInChI=1S/C15H29NO2/c17-12-15(8-4-1-5-9-15)11-16-10-13-6-2-3-7-14(13)18/h13-14,16-18H,1-12H2
InChIKeyZJXCMIQHKNMMSZ-UHFFFAOYSA-N
XLogP2.07
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1-hydroxycyclopentyl)methylamino]methyl]cyclohexan-1-ol
CID 65211425
[1-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]cyclohexyl]methanol
CID 112697777
trans-(1S,2S)-2-[[1-(hydroxymethyl)cyclohexyl]methylamino]cyclopentan-1-ol
CID 102733972
[1-[[(1-methylpiperidin-2-yl)methylamino]methyl]cyclohexyl]methanol
CID 81419235
[1-[(2-cyclopropylethylamino)methyl]cyclohexyl]methanol
CID 81419373
trans-(1S,2S)-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]cyclopentan-1-ol
CID 102733880
[1-[[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]methyl]cyclohexyl]methanol
CID 81419716
2-[[(3-methyloxetan-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 64910750
[1-[[(2-ethylcyclohexyl)amino]methyl]cyclohexyl]methanol
CID 81412676
1-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]cycloheptan-1-ol
CID 115359618
[1-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]cyclohexyl]methanol
CID 81411194
[1-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]cyclohexyl]methanol
CID 81418798

Frequently Asked Questions

What is the IUPAC name of 2-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]cyclohexan-1-ol (CID 81418645) is 2-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]cyclohexan-1-ol is OCC1(CNCC2CCCCC2O)CCCCC1.
What is the InChIKey of 2-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]cyclohexan-1-ol?
The InChIKey is ZJXCMIQHKNMMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c17-12-15(8-4-1-5-9-15)11-16-10-13-6-2-3-7-14(13)18/h13-14,16-18H,1-12H2.
What are the key properties of 2-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]cyclohexan-1-ol?
2-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]cyclohexan-1-ol has a molecular weight of 255.40 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 81418645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).