(2S)-2-[cyclohexyl(trityl)amino]propanal

C28H31NO — CID 54004777

IUPAC(2S)-2-[cyclohexyl(trityl)amino]propanal
SMILESC[C@@H](C=O)N(C1CCCCC1)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H31NO/c1-23(22-30)29(27-20-12-5-13-21-27)28(24-14-6-2-7-15-24,25-16-8-3-9-17-25)26-18-10-4-11-19-26/h2-4,6-11,14-19,22-23,27H,5,12-13,20-21H2,1H3/t23-/m0/s1
InChIKeyKOBXJRKKYVVIBR-QHCPKHFHSA-N
MW397.56 g/mol
LogP6.20
Rot. Bonds7

About (2S)-2-[cyclohexyl(trityl)amino]propanal

(2S)-2-[cyclohexyl(trityl)amino]propanal (PubChem CID 54004777) has the molecular formula C28H31NO and a molecular weight of 397.56 g/mol. Its IUPAC name is (2S)-2-[cyclohexyl(trityl)amino]propanal.

Molecular Properties

Compound Name(2S)-2-[cyclohexyl(trityl)amino]propanal
PubChem CID54004777
Molecular FormulaC28H31NO
Molecular Weight397.56 g/mol
Exact Mass397.24
IUPAC Name(2S)-2-[cyclohexyl(trityl)amino]propanal
SMILESC[C@@H](C=O)N(C1CCCCC1)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H31NO/c1-23(22-30)29(27-20-12-5-13-21-27)28(24-14-6-2-7-15-24,25-16-8-3-9-17-25)26-18-10-4-11-19-26/h2-4,6-11,14-19,22-23,27H,5,12-13,20-21H2,1H3/t23-/m0/s1
InChIKeyKOBXJRKKYVVIBR-QHCPKHFHSA-N
XLogP6.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.56
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[cyclohexyl(methyl)amino]-2-methyl-2-phenylpropanal
CID 62278279
(2S)-2-[cyclohexyl-[(2-methylphenyl)methylamino]amino]propanal
CID 173308162
cyclohexanamine;diphenylmethanediamine
CID 175293358
N-cyclohexyl-N-(2-phenylethyl)formamide
CID 87224609
N-methyl-N-[(1R)-1-phenylethyl]cyclohexanamine
CID 68742462
1-N,1-N-dibenzyl-4-N,4-N-dicyclohexylpent-2-ene-1,4-diamine
CID 67748790
N,N-dicyclohexyl-3-methyl-3-phenylbutanamide
CID 144994558
2-cyclohexyl-2-(methylamino)-2-phenylacetaldehyde
CID 174829123
benzoic acid;N,N-dimethylcyclohexanamine
CID 173305474
(2S)-2-cyclohexyl-2-phenyl-2-phenylmethoxyacetaldehyde
CID 11974794
N-[2-[(1S)-1-aminoethyl]phenyl]-N-methylcycloheptanamine
CID 55190297
N,N-dibenzhydrylcyclohexanamine
CID 139723956

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[cyclohexyl(trityl)amino]propanal?
The IUPAC name of (2S)-2-[cyclohexyl(trityl)amino]propanal (CID 54004777) is (2S)-2-[cyclohexyl(trityl)amino]propanal.
What is the SMILES notation for (2S)-2-[cyclohexyl(trityl)amino]propanal?
The canonical SMILES for (2S)-2-[cyclohexyl(trityl)amino]propanal is C[C@@H](C=O)N(C1CCCCC1)C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-[cyclohexyl(trityl)amino]propanal?
The InChIKey is KOBXJRKKYVVIBR-QHCPKHFHSA-N. The full InChI is InChI=1S/C28H31NO/c1-23(22-30)29(27-20-12-5-13-21-27)28(24-14-6-2-7-15-24,25-16-8-3-9-17-25)26-18-10-4-11-19-26/h2-4,6-11,14-19,22-23,27H,5,12-13,20-21H2,1H3/t23-/m0/s1.
What are the key properties of (2S)-2-[cyclohexyl(trityl)amino]propanal?
(2S)-2-[cyclohexyl(trityl)amino]propanal has a molecular weight of 397.56 g/mol, XLogP of 6.20, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[cyclohexyl(trityl)amino]propanal is sourced from PubChem (CID 54004777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).