3-(ethylamino)-1-(5-methyl-1-tritylimidazol-4-yl)cyclohexan-1-ol

C31H35N3O — CID 141424855

IUPAC3-(ethylamino)-1-(5-methyl-1-tritylimidazol-4-yl)cyclohexan-1-ol
SMILESCCNC1CCCC(O)(c2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2C)C1
InChIInChI=1S/C31H35N3O/c1-3-32-28-20-13-21-30(35,22-28)29-24(2)34(23-33-29)31(25-14-7-4-8-15-25,26-16-9-5-10-17-26)27-18-11-6-12-19-27/h4-12,14-19,23,28,32,35H,3,13,20-22H2,1-2H3
InChIKeyBCHBITSBOAEKFC-UHFFFAOYSA-N
MW465.64 g/mol
LogP5.77
Rot. Bonds7

About 3-(ethylamino)-1-(5-methyl-1-tritylimidazol-4-yl)cyclohexan-1-ol

3-(ethylamino)-1-(5-methyl-1-tritylimidazol-4-yl)cyclohexan-1-ol (PubChem CID 141424855) has the molecular formula C31H35N3O and a molecular weight of 465.64 g/mol. Its IUPAC name is 3-(ethylamino)-1-(5-methyl-1-tritylimidazol-4-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-(ethylamino)-1-(5-methyl-1-tritylimidazol-4-yl)cyclohexan-1-ol
PubChem CID141424855
Molecular FormulaC31H35N3O
Molecular Weight465.64 g/mol
Exact Mass465.28
IUPAC Name3-(ethylamino)-1-(5-methyl-1-tritylimidazol-4-yl)cyclohexan-1-ol
SMILESCCNC1CCCC(O)(c2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2C)C1
InChIInChI=1S/C31H35N3O/c1-3-32-28-20-13-21-30(35,22-28)29-24(2)34(23-33-29)31(25-14-7-4-8-15-25,26-16-9-5-10-17-26)27-18-11-6-12-19-27/h4-12,14-19,23,28,32,35H,3,13,20-22H2,1-2H3
InChIKeyBCHBITSBOAEKFC-UHFFFAOYSA-N
XLogP5.77
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.64
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

N-[(5-methyl-1-tritylimidazol-4-yl)methyl]propan-2-amine
CID 19828085
trans-(1R,3S)-3-diethoxyphosphoryl-1-(2-trityl-1,2,4-triazol-3-yl)cyclohexan-1-ol
CID 10030329
4-hydroxy-1-(5-methyl-1-tritylimidazol-4-yl)butan-1-one
CID 59725813
N-methyl-1-(5-methyl-3-tritylimidazol-4-yl)methanamine
CID 19816139
N-benzylspiro[2.5]octan-7-amine
CID 67386163
4-hydroxy-4-(5-methyl-1-tritylimidazol-4-yl)butanal
CID 25051407
N-ethyl-9-pyridin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-amine
CID 110131035
N-ethyl-3-methyl-3-(2-methylthiophen-3-yl)cyclopentan-1-amine
CID 102837866
4,4-dimethyl-N-(2-methyl-2-phenylpropyl)cycloheptan-1-amine
CID 65083254
(1-trityl-4,5,6,7-tetrahydrobenzimidazol-5-yl)methanol;(3-trityl-4,5,6,7-tetrahydrobenzimidazol-5-yl)methanol
CID 161476981
tert-butyl 4-[(Z)-2-(5-methyl-1-tritylimidazol-4-yl)ethenyl]piperidine-1-carboxylate
CID 66853156
4-iodophosphanyl-1-(5-methyl-1-tritylimidazol-4-yl)but-2-yn-1-one
CID 143636847

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-1-(5-methyl-1-tritylimidazol-4-yl)cyclohexan-1-ol?
The IUPAC name of 3-(ethylamino)-1-(5-methyl-1-tritylimidazol-4-yl)cyclohexan-1-ol (CID 141424855) is 3-(ethylamino)-1-(5-methyl-1-tritylimidazol-4-yl)cyclohexan-1-ol.
What is the SMILES notation for 3-(ethylamino)-1-(5-methyl-1-tritylimidazol-4-yl)cyclohexan-1-ol?
The canonical SMILES for 3-(ethylamino)-1-(5-methyl-1-tritylimidazol-4-yl)cyclohexan-1-ol is CCNC1CCCC(O)(c2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2C)C1.
What is the InChIKey of 3-(ethylamino)-1-(5-methyl-1-tritylimidazol-4-yl)cyclohexan-1-ol?
The InChIKey is BCHBITSBOAEKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N3O/c1-3-32-28-20-13-21-30(35,22-28)29-24(2)34(23-33-29)31(25-14-7-4-8-15-25,26-16-9-5-10-17-26)27-18-11-6-12-19-27/h4-12,14-19,23,28,32,35H,3,13,20-22H2,1-2H3.
What are the key properties of 3-(ethylamino)-1-(5-methyl-1-tritylimidazol-4-yl)cyclohexan-1-ol?
3-(ethylamino)-1-(5-methyl-1-tritylimidazol-4-yl)cyclohexan-1-ol has a molecular weight of 465.64 g/mol, XLogP of 5.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-1-(5-methyl-1-tritylimidazol-4-yl)cyclohexan-1-ol is sourced from PubChem (CID 141424855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).