4-(trideuteriomethoxy)-N-tritylcyclohexan-1-amine

C26H29NO — CID 175758617

IUPAC4-(trideuteriomethoxy)-N-tritylcyclohexan-1-amine
SMILES[2H]C([2H])([2H])OC1CCC(NC(c2ccccc2)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H29NO/c1-28-25-19-17-24(18-20-25)27-26(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,24-25,27H,17-20H2,1H3/i1D3
InChIKeyCTHBQWDDWVJEHR-FIBGUPNXSA-N
MW374.54 g/mol
LogP5.53
Rot. Bonds7

About 4-(trideuteriomethoxy)-N-tritylcyclohexan-1-amine

4-(trideuteriomethoxy)-N-tritylcyclohexan-1-amine (PubChem CID 175758617) has the molecular formula C26H29NO and a molecular weight of 374.54 g/mol. Its IUPAC name is 4-(trideuteriomethoxy)-N-tritylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(trideuteriomethoxy)-N-tritylcyclohexan-1-amine
PubChem CID175758617
Molecular FormulaC26H29NO
Molecular Weight374.54 g/mol
Exact Mass374.24
IUPAC Name4-(trideuteriomethoxy)-N-tritylcyclohexan-1-amine
SMILES[2H]C([2H])([2H])OC1CCC(NC(c2ccccc2)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H29NO/c1-28-25-19-17-24(18-20-25)27-26(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,24-25,27H,17-20H2,1H3/i1D3
InChIKeyCTHBQWDDWVJEHR-FIBGUPNXSA-N
XLogP5.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.54
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-N-tritylcyclohexane-1,4-diamine
CID 18919397
3-(aminomethyl)-N-tritylcyclohexan-1-amine
CID 139972353
(1R,2R,4R)-1,7,7-trimethyl-N-tritylbicyclo[2.2.1]heptan-2-amine
CID 101028806
1-N-(4-methoxycyclohexyl)-3-phenylbenzene-1,2-diamine
CID 176655069
3-cyclobutyloxy-2-(cyclopropylamino)-2-phenylpropan-1-ol
CID 64809912
2-(cyclopropylamino)-3-methyl-2-phenylbutanamide
CID 60872947
N-methoxy-1,1,1-triphenylmethanamine
CID 3384746
2-N-cyclopropyl-1-N-(2-methoxyphenyl)-2-phenylpropane-1,2-diamine
CID 67657665
ethyl 2-(cyclopentylamino)-2-phenylpropanoate
CID 54893875
2-(cyclopentylamino)-2-phenylpropan-1-ol
CID 61053942
N-[2-(tritylamino)cyclohexyl]benzamide
CID 71814998
2-(cyclohexylamino)-2-phenylpropan-1-ol
CID 61045452

Frequently Asked Questions

What is the IUPAC name of 4-(trideuteriomethoxy)-N-tritylcyclohexan-1-amine?
The IUPAC name of 4-(trideuteriomethoxy)-N-tritylcyclohexan-1-amine (CID 175758617) is 4-(trideuteriomethoxy)-N-tritylcyclohexan-1-amine.
What is the SMILES notation for 4-(trideuteriomethoxy)-N-tritylcyclohexan-1-amine?
The canonical SMILES for 4-(trideuteriomethoxy)-N-tritylcyclohexan-1-amine is [2H]C([2H])([2H])OC1CCC(NC(c2ccccc2)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 4-(trideuteriomethoxy)-N-tritylcyclohexan-1-amine?
The InChIKey is CTHBQWDDWVJEHR-FIBGUPNXSA-N. The full InChI is InChI=1S/C26H29NO/c1-28-25-19-17-24(18-20-25)27-26(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,24-25,27H,17-20H2,1H3/i1D3.
What are the key properties of 4-(trideuteriomethoxy)-N-tritylcyclohexan-1-amine?
4-(trideuteriomethoxy)-N-tritylcyclohexan-1-amine has a molecular weight of 374.54 g/mol, XLogP of 5.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trideuteriomethoxy)-N-tritylcyclohexan-1-amine is sourced from PubChem (CID 175758617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).