4-ethyl-1-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]cyclohexan-1-ol

C19H37NO — CID 107428536

IUPAC4-ethyl-1-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)(CNC2CCCC(CC(C)C)C2)CC1
InChIInChI=1S/C19H37NO/c1-4-16-8-10-19(21,11-9-16)14-20-18-7-5-6-17(13-18)12-15(2)3/h15-18,20-21H,4-14H2,1-3H3
InChIKeyRDTFFWOUYCSOPB-UHFFFAOYSA-N
MW295.51 g/mol
LogP4.51
Rot. Bonds6

About 4-ethyl-1-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]cyclohexan-1-ol

4-ethyl-1-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]cyclohexan-1-ol (PubChem CID 107428536) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is 4-ethyl-1-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-1-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]cyclohexan-1-ol
PubChem CID107428536
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC Name4-ethyl-1-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)(CNC2CCCC(CC(C)C)C2)CC1
InChIInChI=1S/C19H37NO/c1-4-16-8-10-19(21,11-9-16)14-20-18-7-5-6-17(13-18)12-15(2)3/h15-18,20-21H,4-14H2,1-3H3
InChIKeyRDTFFWOUYCSOPB-UHFFFAOYSA-N
XLogP4.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-ethyl-1-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

1-(4-Methylpiperidin-2-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 64756319
1-(4-Ethylpiperidin-2-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 64756712
1-[1-(Ethylamino)ethyl]-4-(trifluoromethyl)cyclohexan-1-ol
CID 64756713
4,4-Dimethyl-1-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol
CID 65115300
4-Ethyl-1-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol
CID 65115933
4-Ethyl-1-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol
CID 65115988
4-Ethyl-1-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol
CID 65116141
Cyclohexanol, 1-[[(1,4-dimethylpentyl)amino]methyl]-4,4-dimethyl-
CID 65116794
4,4-Dimethyl-1-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol
CID 65116887
4,4-Dimethyl-1-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol
CID 65117338
4-Methyl-1-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol
CID 65117367
4-Ethyl-1-[(2-fluoroethylamino)methyl]cyclohexan-1-ol
CID 80694714

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-ethyl-1-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]cyclohexan-1-ol (CID 107428536) is 4-ethyl-1-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-1-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-1-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]cyclohexan-1-ol is CCC1CCC(O)(CNC2CCCC(CC(C)C)C2)CC1.
What is the InChIKey of 4-ethyl-1-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]cyclohexan-1-ol?
The InChIKey is RDTFFWOUYCSOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO/c1-4-16-8-10-19(21,11-9-16)14-20-18-7-5-6-17(13-18)12-15(2)3/h15-18,20-21H,4-14H2,1-3H3.
What are the key properties of 4-ethyl-1-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]cyclohexan-1-ol?
4-ethyl-1-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]cyclohexan-1-ol has a molecular weight of 295.51 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 107428536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).