2-benzyl-6-(2-phenylethyl)-3,4,5,7,8,8a-hexahydro-1H-2,6-naphthyridine-4a-carbaldehyde

C24H30N2O — CID 142145294

IUPAC2-benzyl-6-(2-phenylethyl)-3,4,5,7,8,8a-hexahydro-1H-2,6-naphthyridine-4a-carbaldehyde
SMILESO=CC12CCN(Cc3ccccc3)CC1CCN(CCc1ccccc1)C2
InChIInChI=1S/C24H30N2O/c27-20-24-13-16-26(17-22-9-5-2-6-10-22)18-23(24)12-15-25(19-24)14-11-21-7-3-1-4-8-21/h1-10,20,23H,11-19H2
InChIKeyHPIBPVFFRFGVGS-UHFFFAOYSA-N
MW362.52 g/mol
LogP3.64
Rot. Bonds6

About 2-benzyl-6-(2-phenylethyl)-3,4,5,7,8,8a-hexahydro-1H-2,6-naphthyridine-4a-carbaldehyde

2-benzyl-6-(2-phenylethyl)-3,4,5,7,8,8a-hexahydro-1H-2,6-naphthyridine-4a-carbaldehyde (PubChem CID 142145294) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is 2-benzyl-6-(2-phenylethyl)-3,4,5,7,8,8a-hexahydro-1H-2,6-naphthyridine-4a-carbaldehyde.

Molecular Properties

Compound Name2-benzyl-6-(2-phenylethyl)-3,4,5,7,8,8a-hexahydro-1H-2,6-naphthyridine-4a-carbaldehyde
PubChem CID142145294
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC Name2-benzyl-6-(2-phenylethyl)-3,4,5,7,8,8a-hexahydro-1H-2,6-naphthyridine-4a-carbaldehyde
SMILESO=CC12CCN(Cc3ccccc3)CC1CCN(CCc1ccccc1)C2
InChIInChI=1S/C24H30N2O/c27-20-24-13-16-26(17-22-9-5-2-6-10-22)18-23(24)12-15-25(19-24)14-11-21-7-3-1-4-8-21/h1-10,20,23H,11-19H2
InChIKeyHPIBPVFFRFGVGS-UHFFFAOYSA-N
XLogP3.64
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-benzyl-5-(2-phenylethyl)-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridine-3a-carbaldehyde;N-(methoxymethyl)-1-phenyl-N-(trimethylsilylmethyl)methanamine;1-(2-phenylethyl)-3,6-dihydro-2H-pyridine-5-carbaldehyde
CID 159434819
1-[(3R)-1-benzylpyrrolidin-3-yl]cyclopropan-1-amine
CID 11171961
3-benzyl-3-azabicyclo[4.1.0]heptane-1-carbaldehyde;(3-benzyl-3-azabicyclo[4.1.0]heptan-1-yl)methanol;methane
CID 158201630
5-(2-phenylethyl)-5-azaspiro[2.4]heptane
CID 142337171
2-(1,4-dibenzylpiperazin-2-yl)acetaldehyde
CID 22709781
N-[1-[2-benzyl-5-(2-phenylethyl)-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-3a-yl]ethyl]-N-phenylcyclobutanecarboxamide
CID 22893916
(3R)-1-benzylpiperidine-3-carbaldehyde
CID 86316318
2-benzyl-4a-chloro-1,3,4,5,6,7,8,8a-octahydroisoquinoline
CID 3396845
(4aS,8aR)-2-benzyl-4a-chloro-1,3,4,5,6,7,8,8a-octahydroisoquinoline
CID 40562487
(4aR,7aR)-2-benzyl-4a-hydroxy-1,3,4,6,7,7a-hexahydrocyclopenta[c]pyridin-5-one
CID 10776768
1-benzylazepane-3-carbaldehyde
CID 83910081
9-(1-benzylpyrrolidin-3-yl)fluoren-9-ol
CID 122392287

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-(2-phenylethyl)-3,4,5,7,8,8a-hexahydro-1H-2,6-naphthyridine-4a-carbaldehyde?
The IUPAC name of 2-benzyl-6-(2-phenylethyl)-3,4,5,7,8,8a-hexahydro-1H-2,6-naphthyridine-4a-carbaldehyde (CID 142145294) is 2-benzyl-6-(2-phenylethyl)-3,4,5,7,8,8a-hexahydro-1H-2,6-naphthyridine-4a-carbaldehyde.
What is the SMILES notation for 2-benzyl-6-(2-phenylethyl)-3,4,5,7,8,8a-hexahydro-1H-2,6-naphthyridine-4a-carbaldehyde?
The canonical SMILES for 2-benzyl-6-(2-phenylethyl)-3,4,5,7,8,8a-hexahydro-1H-2,6-naphthyridine-4a-carbaldehyde is O=CC12CCN(Cc3ccccc3)CC1CCN(CCc1ccccc1)C2.
What is the InChIKey of 2-benzyl-6-(2-phenylethyl)-3,4,5,7,8,8a-hexahydro-1H-2,6-naphthyridine-4a-carbaldehyde?
The InChIKey is HPIBPVFFRFGVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O/c27-20-24-13-16-26(17-22-9-5-2-6-10-22)18-23(24)12-15-25(19-24)14-11-21-7-3-1-4-8-21/h1-10,20,23H,11-19H2.
What are the key properties of 2-benzyl-6-(2-phenylethyl)-3,4,5,7,8,8a-hexahydro-1H-2,6-naphthyridine-4a-carbaldehyde?
2-benzyl-6-(2-phenylethyl)-3,4,5,7,8,8a-hexahydro-1H-2,6-naphthyridine-4a-carbaldehyde has a molecular weight of 362.52 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-(2-phenylethyl)-3,4,5,7,8,8a-hexahydro-1H-2,6-naphthyridine-4a-carbaldehyde is sourced from PubChem (CID 142145294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).