2-cyclohexyl-2-(methylamino)-2-phenylacetaldehyde

C15H21NO — CID 174829123

IUPAC2-cyclohexyl-2-(methylamino)-2-phenylacetaldehyde
SMILESCNC(C=O)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C15H21NO/c1-16-15(12-17,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2,4-5,8-9,12,14,16H,3,6-7,10-11H2,1H3
InChIKeyKPVPKDXTLOTXHS-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.88
Rot. Bonds4

About 2-cyclohexyl-2-(methylamino)-2-phenylacetaldehyde

2-cyclohexyl-2-(methylamino)-2-phenylacetaldehyde (PubChem CID 174829123) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-cyclohexyl-2-(methylamino)-2-phenylacetaldehyde.

Molecular Properties

Compound Name2-cyclohexyl-2-(methylamino)-2-phenylacetaldehyde
PubChem CID174829123
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2-cyclohexyl-2-(methylamino)-2-phenylacetaldehyde
SMILESCNC(C=O)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C15H21NO/c1-16-15(12-17,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2,4-5,8-9,12,14,16H,3,6-7,10-11H2,1H3
InChIKeyKPVPKDXTLOTXHS-UHFFFAOYSA-N
XLogP2.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-cyclobutyl-2-hydroxy-2-phenylacetaldehyde
CID 24974530
2-cycloheptyl-N-methyl-2-phenylbutan-1-amine
CID 82933987
(2S)-2-cyclohexyl-2-phenyl-2-phenylmethoxyacetaldehyde
CID 11974794
1-[cyclohexyl-(4-methylphenyl)-phenylmethyl]-4-phenylbenzene
CID 143707750
(1R)-1-cyclopentyl-1-phenylethanol;sulfane
CID 158992083
2-cyclopentyl-3-methoxy-3-oxo-2-phenylpropanoic acid
CID 10515617
1-[cyclohexyl-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene
CID 71260606
3-[cyclohexyl(methyl)amino]-2-methyl-2-phenylpropanal
CID 62278279
1-cyclohexyl-1-hydroxy-7-(methylamino)-1-phenylhept-5-yn-2-one
CID 15105857
cyclopentanecarboxylic acid;2-formamido-2-phenylpropanoic acid
CID 161352808
1-cycloheptyl-3-(2-phenylpropan-2-yl)urea
CID 110469316
(2S)-2-[cyclohexyl(trityl)amino]propanal
CID 54004777

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(methylamino)-2-phenylacetaldehyde?
The IUPAC name of 2-cyclohexyl-2-(methylamino)-2-phenylacetaldehyde (CID 174829123) is 2-cyclohexyl-2-(methylamino)-2-phenylacetaldehyde.
What is the SMILES notation for 2-cyclohexyl-2-(methylamino)-2-phenylacetaldehyde?
The canonical SMILES for 2-cyclohexyl-2-(methylamino)-2-phenylacetaldehyde is CNC(C=O)(c1ccccc1)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-(methylamino)-2-phenylacetaldehyde?
The InChIKey is KPVPKDXTLOTXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-16-15(12-17,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2,4-5,8-9,12,14,16H,3,6-7,10-11H2,1H3.
What are the key properties of 2-cyclohexyl-2-(methylamino)-2-phenylacetaldehyde?
2-cyclohexyl-2-(methylamino)-2-phenylacetaldehyde has a molecular weight of 231.34 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(methylamino)-2-phenylacetaldehyde is sourced from PubChem (CID 174829123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).