4-ethyl-1-[[(2-hydroxycyclohexyl)amino]methyl]cyclohexan-1-ol

C15H29NO2 — CID 65118682

IUPAC4-ethyl-1-[[(2-hydroxycyclohexyl)amino]methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)(CNC2CCCCC2O)CC1
InChIInChI=1S/C15H29NO2/c1-2-12-7-9-15(18,10-8-12)11-16-13-5-3-4-6-14(13)17/h12-14,16-18H,2-11H2,1H3
InChIKeyPXFHRVTZSMFJST-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.21
Rot. Bonds4

About 4-ethyl-1-[[(2-hydroxycyclohexyl)amino]methyl]cyclohexan-1-ol

4-ethyl-1-[[(2-hydroxycyclohexyl)amino]methyl]cyclohexan-1-ol (PubChem CID 65118682) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 4-ethyl-1-[[(2-hydroxycyclohexyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-1-[[(2-hydroxycyclohexyl)amino]methyl]cyclohexan-1-ol
PubChem CID65118682
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name4-ethyl-1-[[(2-hydroxycyclohexyl)amino]methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)(CNC2CCCCC2O)CC1
InChIInChI=1S/C15H29NO2/c1-2-12-7-9-15(18,10-8-12)11-16-13-5-3-4-6-14(13)17/h12-14,16-18H,2-11H2,1H3
InChIKeyPXFHRVTZSMFJST-UHFFFAOYSA-N
XLogP2.21
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-hydroxycyclopentyl)methylamino]cyclohexan-1-ol
CID 65108881
4-ethyl-1-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol
CID 65116141
2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]cycloheptan-1-ol
CID 65120602
4-ethyl-1-[[(4-ethylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 65116333
4-ethyl-1-[[(3-methylcyclopentyl)amino]methyl]cyclohexan-1-ol
CID 65116235
3-[[[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]oxolan-3-ol
CID 106100705
trans-(1S,2S)-2-[(1-methylcyclopentyl)methylamino]cyclohexan-1-ol
CID 102731253
1-[[(4,4-dimethylcycloheptyl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 65116174
4-ethyl-1-(ethylaminomethyl)cyclohexan-1-ol
CID 62773711
cis-(1R,2S)-2-(ethylamino)cyclohexan-1-ol
CID 28660465
trans-(1S,2S)-2-(ethylamino)cyclohexan-1-ol
CID 28660461
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]cyclopentanecarboxamide
CID 65121763

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[[(2-hydroxycyclohexyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-ethyl-1-[[(2-hydroxycyclohexyl)amino]methyl]cyclohexan-1-ol (CID 65118682) is 4-ethyl-1-[[(2-hydroxycyclohexyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-1-[[(2-hydroxycyclohexyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-1-[[(2-hydroxycyclohexyl)amino]methyl]cyclohexan-1-ol is CCC1CCC(O)(CNC2CCCCC2O)CC1.
What is the InChIKey of 4-ethyl-1-[[(2-hydroxycyclohexyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is PXFHRVTZSMFJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-2-12-7-9-15(18,10-8-12)11-16-13-5-3-4-6-14(13)17/h12-14,16-18H,2-11H2,1H3.
What are the key properties of 4-ethyl-1-[[(2-hydroxycyclohexyl)amino]methyl]cyclohexan-1-ol?
4-ethyl-1-[[(2-hydroxycyclohexyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 255.40 g/mol, XLogP of 2.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[[(2-hydroxycyclohexyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65118682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).