4-ethyl-1-[[(3-phenylcyclobutyl)amino]methyl]cyclohexan-1-ol

C19H29NO — CID 65116260

IUPAC4-ethyl-1-[[(3-phenylcyclobutyl)amino]methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)(CNC2CC(c3ccccc3)C2)CC1
InChIInChI=1S/C19H29NO/c1-2-15-8-10-19(21,11-9-15)14-20-18-12-17(13-18)16-6-4-3-5-7-16/h3-7,15,17-18,20-21H,2,8-14H2,1H3
InChIKeyZYNIMPLYHDOQDL-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.85
Rot. Bonds5

About 4-ethyl-1-[[(3-phenylcyclobutyl)amino]methyl]cyclohexan-1-ol

4-ethyl-1-[[(3-phenylcyclobutyl)amino]methyl]cyclohexan-1-ol (PubChem CID 65116260) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 4-ethyl-1-[[(3-phenylcyclobutyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-1-[[(3-phenylcyclobutyl)amino]methyl]cyclohexan-1-ol
PubChem CID65116260
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name4-ethyl-1-[[(3-phenylcyclobutyl)amino]methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)(CNC2CC(c3ccccc3)C2)CC1
InChIInChI=1S/C19H29NO/c1-2-15-8-10-19(21,11-9-15)14-20-18-12-17(13-18)16-6-4-3-5-7-16/h3-7,15,17-18,20-21H,2,8-14H2,1H3
InChIKeyZYNIMPLYHDOQDL-UHFFFAOYSA-N
XLogP3.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[[(3-phenylcyclobutyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-ethyl-1-[[(3-phenylcyclobutyl)amino]methyl]cyclohexan-1-ol (CID 65116260) is 4-ethyl-1-[[(3-phenylcyclobutyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-1-[[(3-phenylcyclobutyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-1-[[(3-phenylcyclobutyl)amino]methyl]cyclohexan-1-ol is CCC1CCC(O)(CNC2CC(c3ccccc3)C2)CC1.
What is the InChIKey of 4-ethyl-1-[[(3-phenylcyclobutyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is ZYNIMPLYHDOQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-2-15-8-10-19(21,11-9-15)14-20-18-12-17(13-18)16-6-4-3-5-7-16/h3-7,15,17-18,20-21H,2,8-14H2,1H3.
What are the key properties of 4-ethyl-1-[[(3-phenylcyclobutyl)amino]methyl]cyclohexan-1-ol?
4-ethyl-1-[[(3-phenylcyclobutyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 287.45 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[[(3-phenylcyclobutyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65116260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).