2-[[cyclohexylmethyl(methyl)amino]methyl]-4-ethylcyclohexan-1-ol

C17H33NO — CID 63488742

IUPAC2-[[cyclohexylmethyl(methyl)amino]methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)C(CN(C)CC2CCCCC2)C1
InChIInChI=1S/C17H33NO/c1-3-14-9-10-17(19)16(11-14)13-18(2)12-15-7-5-4-6-8-15/h14-17,19H,3-13H2,1-2H3
InChIKeyKGHVDDCKAXLMLB-UHFFFAOYSA-N
MW267.46 g/mol
LogP3.69
Rot. Bonds5

About 2-[[cyclohexylmethyl(methyl)amino]methyl]-4-ethylcyclohexan-1-ol

2-[[cyclohexylmethyl(methyl)amino]methyl]-4-ethylcyclohexan-1-ol (PubChem CID 63488742) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 2-[[cyclohexylmethyl(methyl)amino]methyl]-4-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[[cyclohexylmethyl(methyl)amino]methyl]-4-ethylcyclohexan-1-ol
PubChem CID63488742
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name2-[[cyclohexylmethyl(methyl)amino]methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)C(CN(C)CC2CCCCC2)C1
InChIInChI=1S/C17H33NO/c1-3-14-9-10-17(19)16(11-14)13-18(2)12-15-7-5-4-6-8-15/h14-17,19H,3-13H2,1-2H3
InChIKeyKGHVDDCKAXLMLB-UHFFFAOYSA-N
XLogP3.69
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-ol
CID 62610434
4-ethyl-2-[[methyl(2-methylpropyl)amino]methyl]cyclohexan-1-ol
CID 62611284
4-ethyl-2-[[methyl-(4-methylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 62611313
4-ethyl-2-[[(4-fluorophenyl)methyl-methylamino]methyl]cyclohexan-1-ol
CID 62609412
2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 62608874
4-ethyl-2-[[2-hydroxyethyl(propyl)amino]methyl]cyclohexan-1-ol
CID 55094394
2-dodecyl-4-ethylcyclohexan-1-ol
CID 63461251
4-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-ol
CID 62610810
2-[[butan-2-yl(ethyl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 55094767
2-N-(cyclopentylmethyl)-4-ethyl-2-N-methylcyclohexane-1,2-diamine
CID 63632460
2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-4-propylcyclohexan-1-ol
CID 79310538
4-ethyl-2-[3-(oxolan-2-yl)propyl]cyclohexan-1-ol
CID 65166209

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclohexylmethyl(methyl)amino]methyl]-4-ethylcyclohexan-1-ol?
The IUPAC name of 2-[[cyclohexylmethyl(methyl)amino]methyl]-4-ethylcyclohexan-1-ol (CID 63488742) is 2-[[cyclohexylmethyl(methyl)amino]methyl]-4-ethylcyclohexan-1-ol.
What is the SMILES notation for 2-[[cyclohexylmethyl(methyl)amino]methyl]-4-ethylcyclohexan-1-ol?
The canonical SMILES for 2-[[cyclohexylmethyl(methyl)amino]methyl]-4-ethylcyclohexan-1-ol is CCC1CCC(O)C(CN(C)CC2CCCCC2)C1.
What is the InChIKey of 2-[[cyclohexylmethyl(methyl)amino]methyl]-4-ethylcyclohexan-1-ol?
The InChIKey is KGHVDDCKAXLMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-3-14-9-10-17(19)16(11-14)13-18(2)12-15-7-5-4-6-8-15/h14-17,19H,3-13H2,1-2H3.
What are the key properties of 2-[[cyclohexylmethyl(methyl)amino]methyl]-4-ethylcyclohexan-1-ol?
2-[[cyclohexylmethyl(methyl)amino]methyl]-4-ethylcyclohexan-1-ol has a molecular weight of 267.46 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclohexylmethyl(methyl)amino]methyl]-4-ethylcyclohexan-1-ol is sourced from PubChem (CID 63488742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).