(2R)-2-amino-4,4-dimethyl-2-(4-pyridin-2-ylphenyl)pentanal

C18H22N2O — CID 138552477

IUPAC(2R)-2-amino-4,4-dimethyl-2-(4-pyridin-2-ylphenyl)pentanal
SMILESCC(C)(C)C[C@](N)(C=O)c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C18H22N2O/c1-17(2,3)12-18(19,13-21)15-9-7-14(8-10-15)16-6-4-5-11-20-16/h4-11,13H,12,19H2,1-3H3/t18-/m0/s1
InChIKeyPEXSFJBDRHRZNM-SFHVURJKSA-N
MW282.39 g/mol
LogP3.54
Rot. Bonds4

About (2R)-2-amino-4,4-dimethyl-2-(4-pyridin-2-ylphenyl)pentanal

(2R)-2-amino-4,4-dimethyl-2-(4-pyridin-2-ylphenyl)pentanal (PubChem CID 138552477) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is (2R)-2-amino-4,4-dimethyl-2-(4-pyridin-2-ylphenyl)pentanal.

Molecular Properties

Compound Name(2R)-2-amino-4,4-dimethyl-2-(4-pyridin-2-ylphenyl)pentanal
PubChem CID138552477
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name(2R)-2-amino-4,4-dimethyl-2-(4-pyridin-2-ylphenyl)pentanal
SMILESCC(C)(C)C[C@](N)(C=O)c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C18H22N2O/c1-17(2,3)12-18(19,13-21)15-9-7-14(8-10-15)16-6-4-5-11-20-16/h4-11,13H,12,19H2,1-3H3/t18-/m0/s1
InChIKeyPEXSFJBDRHRZNM-SFHVURJKSA-N
XLogP3.54
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[3,5-bis[3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]phenyl]phenyl]pyridine
CID 140720976
2-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]pyridine
CID 170286441
2,2-difluoro-2-(4-pyridin-2-ylphenyl)acetamide
CID 144811311
formyl chloride;2-phenylpyridine
CID 175066008
2-(4-methylphenyl)pyridine;silver
CID 121395993
2-(4-tert-butylsulfonylphenyl)pyridine
CID 102234963
hydrazine;2-phenylpyridine
CID 158673997
iridium;tris(2-[4-(4-methylphenyl)phenyl]pyridine)
CID 173084530
CID 71261058
CID 71261058
2-phenylpyridine;propan-2-one
CID 174845023
tert-butyl 4-amino-3-(4-pyridin-2-ylphenyl)butanoate
CID 57256728
O-[(E)-3-(4-pyridin-2-ylphenyl)prop-2-enyl]hydroxylamine
CID 22631257

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4,4-dimethyl-2-(4-pyridin-2-ylphenyl)pentanal?
The IUPAC name of (2R)-2-amino-4,4-dimethyl-2-(4-pyridin-2-ylphenyl)pentanal (CID 138552477) is (2R)-2-amino-4,4-dimethyl-2-(4-pyridin-2-ylphenyl)pentanal.
What is the SMILES notation for (2R)-2-amino-4,4-dimethyl-2-(4-pyridin-2-ylphenyl)pentanal?
The canonical SMILES for (2R)-2-amino-4,4-dimethyl-2-(4-pyridin-2-ylphenyl)pentanal is CC(C)(C)C[C@](N)(C=O)c1ccc(-c2ccccn2)cc1.
What is the InChIKey of (2R)-2-amino-4,4-dimethyl-2-(4-pyridin-2-ylphenyl)pentanal?
The InChIKey is PEXSFJBDRHRZNM-SFHVURJKSA-N. The full InChI is InChI=1S/C18H22N2O/c1-17(2,3)12-18(19,13-21)15-9-7-14(8-10-15)16-6-4-5-11-20-16/h4-11,13H,12,19H2,1-3H3/t18-/m0/s1.
What are the key properties of (2R)-2-amino-4,4-dimethyl-2-(4-pyridin-2-ylphenyl)pentanal?
(2R)-2-amino-4,4-dimethyl-2-(4-pyridin-2-ylphenyl)pentanal has a molecular weight of 282.39 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4,4-dimethyl-2-(4-pyridin-2-ylphenyl)pentanal is sourced from PubChem (CID 138552477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).