3-[cyclohexyl(methyl)amino]-2-methyl-2-phenylpropanal

C17H25NO — CID 62278279

IUPAC3-[cyclohexyl(methyl)amino]-2-methyl-2-phenylpropanal
SMILESCN(CC(C)(C=O)c1ccccc1)C1CCCCC1
InChIInChI=1S/C17H25NO/c1-17(14-19,15-9-5-3-6-10-15)13-18(2)16-11-7-4-8-12-16/h3,5-6,9-10,14,16H,4,7-8,11-13H2,1-2H3
InChIKeyUXSYOWGKEYWYPO-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.41
Rot. Bonds5

About 3-[cyclohexyl(methyl)amino]-2-methyl-2-phenylpropanal

3-[cyclohexyl(methyl)amino]-2-methyl-2-phenylpropanal (PubChem CID 62278279) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 3-[cyclohexyl(methyl)amino]-2-methyl-2-phenylpropanal.

Molecular Properties

Compound Name3-[cyclohexyl(methyl)amino]-2-methyl-2-phenylpropanal
PubChem CID62278279
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name3-[cyclohexyl(methyl)amino]-2-methyl-2-phenylpropanal
SMILESCN(CC(C)(C=O)c1ccccc1)C1CCCCC1
InChIInChI=1S/C17H25NO/c1-17(14-19,15-9-5-3-6-10-15)13-18(2)16-11-7-4-8-12-16/h3,5-6,9-10,14,16H,4,7-8,11-13H2,1-2H3
InChIKeyUXSYOWGKEYWYPO-UHFFFAOYSA-N
XLogP3.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-phenylpropanal
CID 79313119
1-N-cyclopropyl-1-N-methyl-2-phenylpropane-1,2-diamine
CID 62489695
2-methyl-3-[methyl(propyl)amino]-2-phenylpropanal
CID 62278481
3-[bis(prop-2-enyl)amino]-2-methyl-2-phenylpropanal
CID 62276195
2-methyl-3-[methyl(2-methylbutyl)amino]-2-phenylpropanal
CID 62277730
2-methyl-2-phenylbutanal;hydrochloride
CID 141064880
(2S)-2-[cyclohexyl(trityl)amino]propanal
CID 54004777
2-[[cyclohexyl(methyl)amino]methyl]-2-methylpropane-1,3-diol
CID 114287449
N-[2-[cyclohexyl(methyl)amino]ethyl]-3-hydroxy-3-phenylbutanamide
CID 110025076
2-methyl-2-phenyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanal
CID 62276408
N,N-dicyclohexyl-3-methyl-3-phenylbutanamide
CID 144994558
2-methyl-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-2-phenylpropanal
CID 79489421

Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexyl(methyl)amino]-2-methyl-2-phenylpropanal?
The IUPAC name of 3-[cyclohexyl(methyl)amino]-2-methyl-2-phenylpropanal (CID 62278279) is 3-[cyclohexyl(methyl)amino]-2-methyl-2-phenylpropanal.
What is the SMILES notation for 3-[cyclohexyl(methyl)amino]-2-methyl-2-phenylpropanal?
The canonical SMILES for 3-[cyclohexyl(methyl)amino]-2-methyl-2-phenylpropanal is CN(CC(C)(C=O)c1ccccc1)C1CCCCC1.
What is the InChIKey of 3-[cyclohexyl(methyl)amino]-2-methyl-2-phenylpropanal?
The InChIKey is UXSYOWGKEYWYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-17(14-19,15-9-5-3-6-10-15)13-18(2)16-11-7-4-8-12-16/h3,5-6,9-10,14,16H,4,7-8,11-13H2,1-2H3.
What are the key properties of 3-[cyclohexyl(methyl)amino]-2-methyl-2-phenylpropanal?
3-[cyclohexyl(methyl)amino]-2-methyl-2-phenylpropanal has a molecular weight of 259.39 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexyl(methyl)amino]-2-methyl-2-phenylpropanal is sourced from PubChem (CID 62278279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).